Mercurial > repos > bgruening > silicos_it

annotate shape-it/test_data/CID_3037.sdf @ 0:bb92d30b4f52 draft

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Uploaded
author bgruening
date Thu, 15 Aug 2013 03:34:00 -0400
parents
children
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diff changeset
204 -4.15
bb92d30b4f52 Uploaded
bgruening
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