annotate shape-it/test_data/CID_3037.sdf @ 2:5f1d98674a21 draft default tip

Uploaded
author bgruening
date Sun, 20 Apr 2014 09:03:37 -0400
parents bb92d30b4f52
children
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parents:
diff changeset
205 0.01
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
206 0
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
207
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
208 > <PUBCHEM_SHAPE_SELFOVERLAP>
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
209 722.787
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
210
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
211 > <PUBCHEM_SHAPE_VOLUME>
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
212 193
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
213
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
214 > <PUBCHEM_COORDINATE_TYPE>
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
215 2
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
216 5
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
217 255
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
218
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
219 $$$$
bb92d30b4f52 Uploaded
bgruening
parents:
diff changeset
220