File: dbtranslateUnchargedRing.mol2

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file content (31 lines) | stat: -rw-r--r-- 740 bytes parent folder | download | duplicates (8)
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#   Created by UNITY Export Utility
#   User: stiefni2
#   Creation Date: Mon Aug 11 09:36:12 2008


@<TRIPOS>MOLECULE
unchargedRing
8 8 1
SMALL
No_CHARGES

@<TRIPOS>ATOM
1 C    1.8798  -0.5275   0.0000 C.ar 1 <1>
2 H    2.2329  -1.0125   0.0000 H 1 <1>
3 N    2.1898   0.4325   0.0000 N.ar 1 <1>
4 O    1.3798   1.0125   0.0000 O.3 1 <1>
5 C    0.5698   0.4325   0.0000 C.ar 1 <1>
6 H    0.0000   0.6204   0.0000 H 1 <1>
7 C    0.8798  -0.5275   0.0000 C.ar 1 <1>
8 H    0.5267  -1.0125   0.0000 H 1 <1>
@<TRIPOS>BOND
   1    1    7   ar
   2    1    3   ar
   3    3    4   ar
   4    4    5   ar
   5    5    7   ar
   6    1    2    1
   7    5    6    1
   8    7    8    1
@<TRIPOS>SUBSTRUCTURE
1 **** 1 TEMP  0  ****  ****  0  ROOT