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# Name: benzene
# Creating user name: stiefni2
# Creation time: Thu May 15 13:14:53 2008
# Modifying user name: stiefni2
# Modification time: Thu May 15 13:16:20 2008
@<TRIPOS>MOLECULE
benzene
12 12 1 0 0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
1 C1 0.2823 0.2650 0.0000 C.ar 1 BENZENE 0.0000
2 C2 -0.4167 1.4758 0.0000 C.ar 1 BENZENE 0.0000
3 C3 -1.8149 1.4758 0.0000 C.ar 1 BENZENE 0.0000
4 C4 -2.5139 0.2650 0.0000 C.ar 1 BENZENE 0.0000
5 C5 -1.8149 -0.9458 0.0000 C.ar 1 BENZENE 0.0000
6 C6 -0.4167 -0.9458 0.0000 C.ar 1 BENZENE 0.0000
7 H1 1.3680 0.2650 0.0000 H 1 BENZENE 0.0000
8 H2 0.1261 2.4160 0.0000 H 1 BENZENE 0.0000
9 H3 -2.3577 2.4160 0.0000 H 1 BENZENE 0.0000
10 H4 -3.5996 0.2650 0.0000 H 1 BENZENE 0.0000
11 H5 -2.3577 -1.8860 0.0000 H 1 BENZENE 0.0000
12 H6 0.1261 -1.8860 0.0000 H 1 BENZENE 0.0000
@<TRIPOS>BOND
1 1 2 ar
2 1 6 ar
3 1 7 1
4 6 5 ar
5 6 12 1
6 5 4 ar
7 5 11 1
8 4 3 ar
9 4 10 1
10 3 2 ar
11 3 9 1
12 2 8 1
@<TRIPOS>SUBSTRUCTURE
1 BENZENE 1 PERM 0 **** **** 0 ROOT
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