Mercurial > repos > bgruening > rdock_sort_filter
annotate test-data/input_v3000.sdf @ 4:c88da0252e85 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
author | bgruening |
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date | Mon, 04 May 2020 07:42:00 -0400 |
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rev | line source |
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4
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
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1 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
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changeset
|
2 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
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3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
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changeset
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4 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
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changeset
|
5 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
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changeset
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6 M V30 COUNTS 13 13 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
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changeset
|
7 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
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changeset
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8 M V30 1 C 9.879 -5.496 26.173 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
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changeset
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9 M V30 2 S 8.479 -4.341 26.068 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
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changeset
|
10 M V30 3 O 7.191 -5.019 26.229 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
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changeset
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11 M V30 4 O 8.434 -3.443 27.212 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
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12 M V30 5 N 8.496 -3.498 24.592 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
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13 M V30 6 C 9.754 -3.034 24.058 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
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14 M V30 7 C 9.568 -1.826 23.151 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
15 M V30 8 C 10.876 -1.05 23.144 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
16 M V30 9 C 11.906 -1.461 22.316 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
17 M V30 10 C 13.106 -0.779 22.318 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
18 M V30 11 C 13.277 0.318 23.15 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
19 M V30 12 C 12.242 0.732 23.981 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
20 M V30 13 C 11.039 0.041 23.983 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
21 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
22 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
23 M V30 1 1 2 1 CFG=1 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
24 M V30 2 2 2 3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
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25 M V30 3 2 2 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
26 M V30 4 1 2 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
27 M V30 5 1 5 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
28 M V30 6 1 6 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
29 M V30 7 1 7 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
30 M V30 8 2 8 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
31 M V30 9 1 8 13 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
32 M V30 10 1 9 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
33 M V30 11 2 10 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
34 M V30 12 1 11 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
35 M V30 13 2 13 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
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36 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
37 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
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38 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
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changeset
|
39 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
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40 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
41 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
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42 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
43 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
44 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
45 M V30 COUNTS 16 17 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
46 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
47 M V30 1 C 9.522 5.385 22.964 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
48 M V30 2 C 10.691 5.736 23.881 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
49 M V30 3 O 10.466 6.316 24.874 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
50 M V30 4 N 12.074 5.388 23.622 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
51 M V30 5 C 12.492 4.65 22.451 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
52 M V30 6 C 13.176 3.375 22.918 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
53 M V30 7 C 12.21 2.317 23.457 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
54 M V30 8 C 11.139 2.487 24.321 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
55 M V30 9 N 10.572 1.301 24.525 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
56 M V30 10 C 11.236 0.338 23.821 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
57 M V30 11 C 11.03 -1.062 23.693 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
58 M V30 12 C 11.88 -1.812 22.883 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
59 M V30 13 C 12.929 -1.186 22.198 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
60 M V30 14 C 13.128 0.182 22.323 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
61 M V30 15 C 12.267 0.946 23.147 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
62 M V30 16 F 13.769 -1.898 21.404 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
63 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
64 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
65 M V30 1 1 1 2 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
66 M V30 2 2 2 3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
67 M V30 3 1 2 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
68 M V30 4 1 4 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
69 M V30 5 1 5 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
70 M V30 6 1 6 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
71 M V30 7 2 7 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
72 M V30 8 1 7 15 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
73 M V30 9 1 8 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
74 M V30 10 1 9 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
75 M V30 11 2 15 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
76 M V30 12 1 10 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
77 M V30 13 2 11 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
78 M V30 14 1 12 13 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
79 M V30 15 2 13 14 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
80 M V30 16 1 13 16 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
81 M V30 17 1 15 14 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
82 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
83 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
84 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
85 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
86 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
87 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
88 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
89 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
90 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
91 M V30 COUNTS 11 11 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
92 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
93 M V30 1 C 10.164 -0.784 22.54 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
94 M V30 2 C 9.263 -0.157 21.478 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
95 M V30 3 O 9.587 0.859 20.967 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
96 M V30 4 N 8.014 -0.798 21.104 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
97 M V30 5 C 7.156 -0.207 20.089 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
98 M V30 6 C 7.523 -0.265 18.751 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
99 M V30 7 N 6.767 0.259 17.805 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
100 M V30 8 C 5.637 0.861 18.103 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
101 M V30 9 C 5.189 0.976 19.412 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
102 M V30 10 C 5.964 0.425 20.434 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
103 M V30 11 C 5.528 0.522 21.894 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
104 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
105 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
106 M V30 1 1 1 2 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
107 M V30 2 2 2 3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
108 M V30 3 1 2 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
109 M V30 4 1 4 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
110 M V30 5 2 5 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
111 M V30 6 1 5 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
112 M V30 7 1 6 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
113 M V30 8 2 7 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
114 M V30 9 1 8 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
115 M V30 10 2 10 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
116 M V30 11 1 10 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
117 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
118 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
119 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
120 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
121 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
122 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
123 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
124 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
125 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
126 M V30 COUNTS 14 14 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
127 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
128 M V30 1 C 11.659 -1.502 21.806 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
129 M V30 2 O 12.321 -1.637 23.035 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
130 M V30 3 C 13.073 -0.525 23.444 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
131 M V30 4 O 14.218 -0.657 23.684 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
132 M V30 5 C 12.42 0.849 23.571 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
133 M V30 6 C 11.17 0.983 24.168 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
134 M V30 7 C 10.588 2.24 24.264 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
135 M V30 8 C 11.27 3.343 23.759 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
136 M V30 9 C 12.512 3.207 23.159 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
137 M V30 10 C 13.085 1.956 23.065 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
138 M V30 11 S 10.543 4.988 23.864 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
139 M V30 12 O 11.527 6.005 23.481 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
140 M V30 13 O 10.243 5.326 25.257 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
141 M V30 14 N 9.156 5.076 22.863 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
142 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
143 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
144 M V30 1 1 1 2 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
145 M V30 2 1 2 3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
146 M V30 3 2 3 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
147 M V30 4 1 3 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
148 M V30 5 2 5 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
149 M V30 6 1 5 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
150 M V30 7 1 6 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
151 M V30 8 2 7 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
152 M V30 9 1 8 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
153 M V30 10 1 8 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
154 M V30 11 2 10 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
155 M V30 12 2 11 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
156 M V30 13 2 11 13 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
157 M V30 14 1 11 14 CFG=6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
158 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
159 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
160 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
161 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
162 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
163 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
164 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
165 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
166 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
167 M V30 COUNTS 15 16 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
168 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
169 M V30 1 C 9.935 -0.519 25.099 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
170 M V30 2 N 11.151 -0.499 24.314 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
171 M V30 3 C 11.474 -1.689 23.578 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
172 M V30 4 C 12.697 -1.643 22.689 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
173 M V30 5 C 13.671 -0.515 22.98 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
174 M V30 6 C 12.922 0.832 23.205 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
175 M V30 7 C 13.477 2.046 22.748 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
176 M V30 8 C 12.789 3.242 22.951 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
177 M V30 9 C 11.542 3.203 23.613 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
178 M V30 10 C 10.985 2.006 24.067 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
179 M V30 11 C 11.683 0.797 23.859 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
180 M V30 12 S 10.612 4.716 23.911 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
181 M V30 13 O 10.162 4.686 25.304 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
182 M V30 14 O 9.335 4.69 23.184 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
183 M V30 15 N 11.566 6.082 23.538 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
184 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
185 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
186 M V30 1 1 1 2 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
187 M V30 2 1 2 3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
188 M V30 3 1 2 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
189 M V30 4 1 3 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
190 M V30 5 1 4 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
191 M V30 6 1 5 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
192 M V30 7 2 11 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
193 M V30 8 1 6 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
194 M V30 9 2 7 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
195 M V30 10 1 8 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
196 M V30 11 2 9 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
197 M V30 12 1 9 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
198 M V30 13 1 11 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
199 M V30 14 2 12 13 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
200 M V30 15 2 12 14 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
201 M V30 16 1 12 15 CFG=1 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
202 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
203 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
204 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
205 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
206 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
207 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
208 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
209 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
210 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
211 M V30 COUNTS 11 11 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
212 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
213 M V30 1 C 8.94 -0.033 27.796 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
214 M V30 2 C 9.063 -0.505 26.355 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
215 M V30 3 N 10.132 0.251 25.738 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
216 M V30 4 C 10.93 -0.252 24.643 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
217 M V30 5 C 10.571 -1.39 23.931 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
218 M V30 6 C 11.365 -1.819 22.878 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
219 M V30 7 C 12.505 -1.087 22.565 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
220 M V30 8 C 13.425 -1.516 21.429 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
221 M V30 9 N 14.117 -1.821 20.577 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
222 M V30 10 C 12.797 0.04 23.321 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
223 M V30 11 N 12.014 0.425 24.323 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
224 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
225 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
226 M V30 1 1 1 2 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
227 M V30 2 1 2 3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
228 M V30 3 1 3 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
229 M V30 4 2 4 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
230 M V30 5 1 4 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
231 M V30 6 1 5 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
232 M V30 7 2 6 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
233 M V30 8 1 7 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
234 M V30 9 1 7 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
235 M V30 10 3 8 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
236 M V30 11 2 11 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
237 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
238 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
239 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
240 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
241 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
242 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
243 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
244 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
245 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
246 M V30 COUNTS 18 19 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
247 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
248 M V30 1 C 5.859 3.541 30.972 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
249 M V30 2 N 6.082 2.675 29.814 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
250 M V30 3 O 7.275 -1.828 28.156 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
251 M V30 4 C 5.517 1.348 30.044 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
252 M V30 5 N 6.991 0.428 28.289 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
253 M V30 6 O 8.891 -1.708 26.008 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
254 M V30 7 C 5.62 0.5 28.799 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
255 M V30 8 C 7.746 1.686 28.303 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
256 M V30 9 C 7.508 2.52 29.544 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
257 M V30 10 C 7.511 -0.691 27.746 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
258 M V30 11 C 8.362 -0.487 26.504 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
259 M V30 12 C 10.016 -1.615 25.229 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
260 M V30 13 C 10.582 -2.755 24.68 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
261 M V30 14 C 11.719 -2.642 23.894 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
262 M V30 15 C 12.315 -1.42 23.641 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
263 M V30 16 C 13.552 -1.313 22.788 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
264 M V30 17 C 11.739 -0.297 24.197 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
265 M V30 18 C 10.602 -0.379 24.981 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
266 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
267 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
268 M V30 1 1 1 2 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
269 M V30 2 1 2 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
270 M V30 3 1 2 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
271 M V30 4 2 3 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
272 M V30 5 1 4 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
273 M V30 6 1 10 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
274 M V30 7 1 7 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
275 M V30 8 1 5 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
276 M V30 9 1 6 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
277 M V30 10 1 6 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
278 M V30 11 1 9 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
279 M V30 12 1 10 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
280 M V30 13 2 12 13 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
281 M V30 14 1 12 18 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
282 M V30 15 1 13 14 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
283 M V30 16 2 14 15 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
284 M V30 17 1 15 16 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
285 M V30 18 1 15 17 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
286 M V30 19 2 18 17 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
287 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
288 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
289 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
290 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
291 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
292 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
293 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
294 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
295 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
296 M V30 COUNTS 13 14 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
297 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
298 M V30 1 O 9.065 -4.737 27.698 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
299 M V30 2 C 9.263 -5.04 26.338 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
300 M V30 3 C 10.552 -4.538 25.949 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
301 M V30 4 C 10.481 -3.038 25.685 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
302 M V30 5 N 9.73 -2.784 24.499 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
303 M V30 6 C 9.686 -1.617 24.127 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
304 M V30 7 C 11.077 -1.232 23.612 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
305 M V30 8 C 11.969 -0.132 24.171 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
306 M V30 9 C 13.203 -0.089 23.441 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
307 M V30 10 S 13.207 -1.225 22.285 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
308 M V30 11 C 11.755 -1.89 22.536 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
309 M V30 12 C 8.56 -3.621 24.346 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
310 M V30 13 C 8.175 -4.483 25.564 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
311 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
312 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
313 M V30 1 1 2 1 CFG=1 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
314 M V30 2 1 2 3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
315 M V30 3 1 2 13 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
316 M V30 4 1 3 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
317 M V30 5 1 4 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
318 M V30 6 1 5 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
319 M V30 7 1 5 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
320 M V30 8 1 6 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
321 M V30 9 1 7 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
322 M V30 10 2 7 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
323 M V30 11 2 8 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
324 M V30 12 1 9 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
325 M V30 13 1 11 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
326 M V30 14 1 13 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
327 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
328 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
329 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
330 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
331 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
332 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
333 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
334 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
335 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
336 M V30 COUNTS 16 17 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
337 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
338 M V30 1 O 9.35 0.582 20.901 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
339 M V30 2 C 8.819 -0.394 21.324 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
340 M V30 3 N 9.475 -1.174 22.337 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
341 M V30 4 C 10.748 -0.702 22.795 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
342 M V30 5 C 11.904 -1.071 22.128 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
343 M V30 6 C 13.127 -0.595 22.568 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
344 M V30 7 C 13.175 0.253 23.664 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
345 M V30 8 C 12.006 0.622 24.323 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
346 M V30 9 C 10.786 0.145 23.888 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
347 M V30 10 N 7.525 -0.84 20.854 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
348 M V30 11 C 6.799 -0.121 19.829 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
349 M V30 12 C 5.592 0.482 20.163 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
350 M V30 13 C 4.918 1.164 19.155 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
351 M V30 14 C 5.47 1.184 17.877 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
352 M V30 15 N 6.614 0.589 17.611 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
353 M V30 16 C 7.294 -0.056 18.533 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
354 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
355 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
356 M V30 1 2 1 2 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
357 M V30 2 1 2 3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
358 M V30 3 1 2 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
359 M V30 4 1 3 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
360 M V30 5 2 4 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
361 M V30 6 1 4 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
362 M V30 7 1 5 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
363 M V30 8 2 6 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
364 M V30 9 1 7 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
365 M V30 10 2 9 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
366 M V30 11 1 10 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
367 M V30 12 2 11 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
368 M V30 13 1 11 16 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
369 M V30 14 1 12 13 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
370 M V30 15 2 13 14 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
371 M V30 16 1 14 15 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
372 M V30 17 2 16 15 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
373 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
374 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
375 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
376 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
377 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
378 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
379 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
380 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
381 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
382 M V30 COUNTS 18 19 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
383 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
384 M V30 1 O 3.017 1.331 24.236 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
385 M V30 2 C 3.052 2.178 23.393 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
386 M V30 3 N 4.193 2.316 22.503 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
387 M V30 4 C 5.325 1.419 22.576 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
388 M V30 5 C 4.994 0.189 21.735 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
389 M V30 6 C 5.415 0.311 20.271 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
390 M V30 7 C 6.482 -0.459 19.805 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
391 M V30 8 C 6.86 -0.34 18.474 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
392 M V30 9 N 6.222 0.474 17.664 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
393 M V30 10 C 5.19 1.211 18.08 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
394 M V30 11 C 4.743 1.17 19.397 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
395 M V30 12 N 1.974 3.125 23.19 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
396 M V30 13 C 0.779 3.164 24.006 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
397 M V30 14 C 0.674 4.602 24.521 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
398 M V30 15 C -0.645 4.853 25.235 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
399 M V30 16 C -1.817 4.544 24.313 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
400 M V30 17 C -1.766 3.115 23.79 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
401 M V30 18 C -0.417 2.761 23.156 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
402 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
403 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
404 M V30 1 2 1 2 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
405 M V30 2 1 2 3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
406 M V30 3 1 2 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
407 M V30 4 1 3 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
408 M V30 5 1 4 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
409 M V30 6 1 5 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
410 M V30 7 2 6 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
411 M V30 8 1 6 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
412 M V30 9 1 7 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
413 M V30 10 2 8 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
414 M V30 11 1 9 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
415 M V30 12 2 11 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
416 M V30 13 1 13 12 CFG=6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
417 M V30 14 1 13 14 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
418 M V30 15 1 13 18 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
419 M V30 16 1 14 15 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
420 M V30 17 1 15 16 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
421 M V30 18 1 16 17 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
422 M V30 19 1 18 17 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
423 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
424 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
425 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
426 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
427 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
428 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
429 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
430 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
431 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
432 M V30 COUNTS 16 17 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
433 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
434 M V30 1 O 9.383 0.876 21.023 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
435 M V30 2 C 8.815 0.136 21.759 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
436 M V30 3 C 9.393 -0.317 23.094 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
437 M V30 4 C 10.919 -0.31 23.071 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
438 M V30 5 C 11.442 -1.375 22.111 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
439 M V30 6 C 12.951 -1.551 22.211 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
440 M V30 7 C 13.435 -1.707 23.642 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
441 M V30 8 C 12.921 -0.542 24.471 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
442 M V30 9 C 11.405 -0.568 24.489 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
443 M V30 10 N 7.535 -0.369 21.378 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
444 M V30 11 C 6.968 0.067 20.143 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
445 M V30 12 C 5.729 0.697 20.192 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
446 M V30 13 C 5.209 1.113 18.967 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
447 M V30 14 C 5.945 0.893 17.814 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
448 M V30 15 N 7.127 0.298 17.845 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
449 M V30 16 C 7.663 -0.116 18.963 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
450 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
451 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
452 M V30 1 2 1 2 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
453 M V30 2 1 2 3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
454 M V30 3 1 2 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
455 M V30 4 1 4 3 CFG=1 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
456 M V30 5 1 4 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
457 M V30 6 1 4 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
458 M V30 7 1 5 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
459 M V30 8 1 6 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
460 M V30 9 1 7 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
461 M V30 10 1 9 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
462 M V30 11 1 10 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
463 M V30 12 2 11 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
464 M V30 13 1 11 16 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
465 M V30 14 1 12 13 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
466 M V30 15 2 13 14 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
467 M V30 16 1 14 15 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
468 M V30 17 2 16 15 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
469 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
470 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
471 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
472 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
473 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
474 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
475 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
476 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
477 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
478 M V30 COUNTS 13 14 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
479 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
480 M V30 1 N 10.317 3.011 22.249 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
481 M V30 2 C 9.529 1.771 22.243 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
482 M V30 3 O 9.193 1.272 21.189 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
483 M V30 4 C 9.148 1.108 23.61 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
484 M V30 5 C 7.824 1.011 23.765 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
485 M V30 6 C 7.435 -0.497 23.348 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
486 M V30 7 C 8.803 -1.188 23.006 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
487 M V30 8 C 9.726 -0.454 23.685 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
488 M V30 9 C 11.151 -0.536 23.085 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
489 M V30 10 C 12.157 0.387 23.463 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
490 M V30 11 C 13.411 0.18 22.836 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
491 M V30 12 S 13.216 -1.212 21.792 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
492 M V30 13 C 11.529 -1.529 22.159 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
493 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
494 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
495 M V30 1 1 1 2 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
496 M V30 2 2 2 3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
497 M V30 3 1 4 2 CFG=6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
498 M V30 4 1 4 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
499 M V30 5 1 4 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
500 M V30 6 1 5 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
501 M V30 7 1 6 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
502 M V30 8 1 8 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
503 M V30 9 1 8 9 CFG=6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
504 M V30 10 1 9 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
505 M V30 11 2 9 13 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
506 M V30 12 2 10 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
507 M V30 13 1 11 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
508 M V30 14 1 13 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
509 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
510 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
511 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
512 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
513 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
514 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
515 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
516 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
517 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
518 M V30 COUNTS 11 11 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
519 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
520 M V30 1 N 9.501 5.033 22.996 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
521 M V30 2 C 12.59 0.982 23.125 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
522 M V30 3 O 10.347 5.085 25.299 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
523 M V30 4 C 11.351 1.047 23.77 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
524 M V30 5 O 11.707 6.042 23.503 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
525 M V30 6 C 10.81 2.319 24.039 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
526 M V30 7 C 11.481 3.508 23.675 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
527 M V30 8 C 12.725 3.378 23.04 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
528 M V30 9 C 13.286 2.131 22.766 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
529 M V30 10 Br 13.39 -0.768 22.661 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
530 M V30 11 S 10.82 5.03 23.971 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
531 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
532 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
533 M V30 1 1 11 1 CFG=6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
534 M V30 2 2 2 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
535 M V30 3 1 2 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
536 M V30 4 1 2 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
537 M V30 5 2 11 3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
538 M V30 6 1 4 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
539 M V30 7 2 11 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
540 M V30 8 2 6 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
541 M V30 9 1 11 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
542 M V30 10 1 7 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
543 M V30 11 2 9 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
544 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
545 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
546 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
547 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
548 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
549 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
550 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
551 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
552 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
553 M V30 COUNTS 7 7 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
554 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
555 M V30 1 N 3.785 2.023 19.567 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
556 M V30 2 C 4.751 1.187 19.156 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
557 M V30 3 C 5.193 0.102 19.956 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
558 M V30 4 N 6.118 -0.771 19.531 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
559 M V30 5 C 6.631 -0.544 18.275 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
560 M V30 6 N 6.296 0.461 17.443 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
561 M V30 7 C 5.36 1.316 17.878 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
562 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
563 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
564 M V30 1 1 1 2 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
565 M V30 2 2 2 3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
566 M V30 3 1 2 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
567 M V30 4 1 3 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
568 M V30 5 2 4 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
569 M V30 6 1 5 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
570 M V30 7 2 7 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
571 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
572 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
573 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
574 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
575 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
576 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
577 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
578 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
579 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
580 M V30 COUNTS 15 16 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
581 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
582 M V30 1 N 9.956 1.422 21.355 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
583 M V30 2 C 9.817 0.455 21.963 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
584 M V30 3 O 7.362 -5.927 25.41 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
585 M V30 4 C 9.649 -0.698 22.751 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
586 M V30 5 N 10.264 -1.84 22.326 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
587 M V30 6 C 8.945 -0.599 23.939 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
588 M V30 7 N 9.593 -4.099 25.24 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
589 M V30 8 C 8.874 -1.71 24.773 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
590 M V30 9 C 9.513 -2.915 24.415 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
591 M V30 10 C 10.185 -2.902 23.147 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
592 M V30 11 C 9.955 -5.417 24.647 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
593 M V30 12 C 8.966 -5.922 23.59 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
594 M V30 13 C 7.501 -5.707 24.011 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
595 M V30 14 C 7.351 -4.8 26.252 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
596 M V30 15 C 8.767 -4.208 26.474 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
597 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
598 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
599 M V30 1 3 1 2 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
600 M V30 2 1 2 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
601 M V30 3 1 3 13 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
602 M V30 4 1 3 14 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
603 M V30 5 2 4 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
604 M V30 6 1 4 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
605 M V30 7 1 5 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
606 M V30 8 2 6 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
607 M V30 9 1 7 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
608 M V30 10 1 7 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
609 M V30 11 1 7 15 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
610 M V30 12 1 8 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
611 M V30 13 2 10 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
612 M V30 14 1 11 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
613 M V30 15 1 13 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
614 M V30 16 1 14 15 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
615 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
616 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
617 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
618 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
619 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
620 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
621 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
622 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
623 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
624 M V30 COUNTS 19 21 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
625 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
626 M V30 1 C 13.913 -1.259 23.223 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
627 M V30 2 N 12.511 -0.97 23.531 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
628 M V30 3 O 9.1 1.255 21.153 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
629 M V30 4 C 11.615 -1.933 22.877 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
630 M V30 5 N 9.924 -0.228 22.633 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
631 M V30 6 C 10.165 -1.584 23.119 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
632 M V30 7 N 6.783 0.288 17.839 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
633 M V30 8 C 10.742 0.736 23.359 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
634 M V30 9 N 4.786 1.469 18.505 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
635 M V30 10 C 12.197 0.405 23.135 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
636 M V30 11 C 9.159 0.102 21.578 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
637 M V30 12 C 8.378 -1.009 20.894 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
638 M V30 13 C 7.526 -0.403 19.832 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
639 M V30 14 C 7.768 -0.404 18.491 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
640 M V30 15 C 5.886 0.747 18.755 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
641 M V30 16 C 4.072 1.805 19.587 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
642 M V30 17 C 4.405 1.463 20.898 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
643 M V30 18 C 5.548 0.73 21.135 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
644 M V30 19 C 6.323 0.348 20.033 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
645 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
646 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
647 M V30 1 1 1 2 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
648 M V30 2 1 2 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
649 M V30 3 1 2 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
650 M V30 4 2 3 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
651 M V30 5 1 4 6 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
652 M V30 6 1 11 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
653 M V30 7 1 6 5 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
654 M V30 8 1 5 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
655 M V30 9 1 7 14 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
656 M V30 10 1 7 15 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
657 M V30 11 1 10 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
658 M V30 12 2 15 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
659 M V30 13 1 9 16 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
660 M V30 14 1 11 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
661 M V30 15 1 12 13 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
662 M V30 16 2 14 13 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
663 M V30 17 1 13 19 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
664 M V30 18 1 15 19 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
665 M V30 19 2 16 17 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
666 M V30 20 1 17 18 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
667 M V30 21 2 19 18 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
668 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
669 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
670 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
671 $$$$ |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
672 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
673 OpenBabel04062010473D |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
674 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
675 0 0 0 0 0 999 V3000 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
676 M V30 BEGIN CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
677 M V30 COUNTS 18 19 0 0 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
678 M V30 BEGIN ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
679 M V30 1 N 8.542 0.585 24.925 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
680 M V30 2 C 7.794 1.345 24.024 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
681 M V30 3 O 8.264 2.345 23.458 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
682 M V30 4 C 9.926 0.918 25.249 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
683 M V30 5 N 14.06 -1.853 20.555 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
684 M V30 6 O 3.564 0.957 23.673 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
685 M V30 7 C 10.845 0.299 24.235 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
686 M V30 8 N 6.425 0.845 23.815 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
687 M V30 9 C 12.007 0.962 23.85 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
688 M V30 10 C 12.855 0.386 22.907 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
689 M V30 11 C 12.521 -0.849 22.343 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
690 M V30 12 C 13.358 -1.419 21.358 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
691 M V30 13 C 11.363 -1.521 22.729 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
692 M V30 14 C 10.527 -0.946 23.677 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
693 M V30 15 C 5.572 0.728 25.043 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
694 M V30 16 C 4.14 0.228 24.742 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
695 M V30 17 C 4.307 0.927 22.472 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
696 M V30 18 C 5.702 1.537 22.715 0 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
697 M V30 END ATOM |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
698 M V30 BEGIN BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
699 M V30 1 1 1 2 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
700 M V30 2 1 1 4 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
701 M V30 3 2 2 3 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
702 M V30 4 1 2 8 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
703 M V30 5 1 4 7 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
704 M V30 6 3 5 12 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
705 M V30 7 1 6 16 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
706 M V30 8 1 6 17 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
707 M V30 9 2 7 9 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
708 M V30 10 1 7 14 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
709 M V30 11 1 8 15 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
710 M V30 12 1 8 18 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
711 M V30 13 1 9 10 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
712 M V30 14 2 10 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
713 M V30 15 1 12 11 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
714 M V30 16 1 11 13 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
715 M V30 17 2 14 13 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
716 M V30 18 1 16 15 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
717 M V30 19 1 17 18 |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
718 M V30 END BOND |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
719 M V30 END CTAB |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
720 M END |
c88da0252e85
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
bgruening
parents:
diff
changeset
|
721 $$$$ |