Mercurial > repos > marpiech > norwich_tools_docking2
view test-data/rdock/1nem_lig.sd @ 1:30e2440b2173 draft
planemo upload
| author | marpiech |
|---|---|
| date | Mon, 29 Aug 2016 08:38:19 -0400 |
| parents | 4cc079c67fab |
| children |
line wrap: on
line source
1NEM.B MOE2001 3D RIBONUCLEIC ACID 67 70 0 0 1 0 0 0 0 0 1 V2000 2.0910 -4.2300 1.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -4.8350 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 -2.8980 2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 -1.8700 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -1.7610 0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -0.4460 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0070 -0.3880 2.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.2860 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 0.0490 -0.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 0.5320 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -0.4250 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 0.6400 2.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 0.5150 3.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 -0.8550 3.9150 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9630 -0.9450 4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 -1.0180 4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 -1.5320 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 1.5860 4.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1210 2.8620 3.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 3.5360 4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 1.6050 5.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 0.4200 6.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 0.4450 7.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 1.7250 4.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 0.6390 4.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 1.6970 5.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 2.1640 5.4310 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3250 3.1120 5.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 1.5680 4.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 2.1300 6.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 -2.2830 4.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -2.1450 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -3.6170 1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -3.8770 0.5270 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1260 -4.8480 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -3.6660 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -3.2940 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -4.4980 1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -5.8640 1.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -6.4220 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -4.1810 2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 -4.9500 2.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -4.7450 3.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0360 -0.9310 4.0220 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2960 -0.2590 3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6560 -0.9220 3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5530 -0.6910 4.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -2.6930 2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -1.9040 2.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 1.9810 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 3.4320 -1.5060 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.8660 3.5740 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 3.8840 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 3.8270 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 1.3720 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 -0.1200 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 -0.6390 0.4210 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9200 -0.1680 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7070 -0.4800 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 -1.6290 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -0.3500 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 -1.7650 0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 0.2610 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 0.1190 0.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 1.7450 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 2.2380 -1.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 2.0890 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 4 5 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 7 1 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 64 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 18 1 0 0 0 0 13 14 1 0 0 0 0 14 17 1 0 0 0 0 14 16 1 0 0 0 0 14 15 1 0 0 0 0 18 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 26 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 30 1 0 0 0 0 27 29 1 0 0 0 0 27 28 1 0 0 0 0 31 48 1 0 0 0 0 31 44 1 0 0 0 0 32 33 1 0 0 0 0 32 49 1 0 0 0 0 32 62 1 0 0 0 0 33 38 1 0 0 0 0 33 34 1 0 0 0 0 34 37 1 0 0 0 0 34 36 1 0 0 0 0 34 35 1 0 0 0 0 38 41 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 41 48 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 44 47 1 0 0 0 0 44 46 1 0 0 0 0 44 45 1 0 0 0 0 48 49 1 0 0 0 0 50 55 1 0 0 0 0 50 65 1 0 0 0 0 50 51 1 0 0 0 0 51 54 1 0 0 0 0 51 53 1 0 0 0 0 51 52 1 0 0 0 0 55 56 1 0 0 0 0 56 61 1 0 0 0 0 56 57 1 0 0 0 0 57 60 1 0 0 0 0 57 59 1 0 0 0 0 57 58 1 0 0 0 0 61 63 1 0 0 0 0 61 62 1 0 0 0 0 63 65 1 0 0 0 0 63 64 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 M CHG 1 14 1 M CHG 1 27 1 M CHG 1 34 1 M CHG 1 44 1 M CHG 1 51 1 M CHG 1 57 1 M END