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# Name: <unnamed>
# Creating user name: taylor
# Creation time: Tue Nov 14 16:25:54 1995
# Modifying user name: taylor
# Modification time: Tue Nov 14 17:15:24 1995
@<TRIPOS>MOLECULE
****
22 21 1 1 1
SMALL
NO_CHARGES
@<TRIPOS>ATOM
1 P 3.1493 0.1976 -0.5132 P.3 1 PAL311 0.0000
2 O1P 2.7576 -0.0015 0.9105 O.co2 1 PAL311 0.0000
3 O2P 4.4109 -0.5439 -0.7916 O.co2 1 PAL311 0.0000
4 O3P 3.3543 1.6506 -0.7719 O.co2 1 PAL311 0.0000
5 C1P 1.8098 -0.4214 -1.5928 C.3 1 PAL311 0.0000
6 C1 0.5439 0.2966 -1.2031 C.2 1 PAL311 0.0000
7 O1 0.0639 1.1204 -1.9661 O.2 1 PAL311 0.0000
8 N2 0.0000 0.0000 0.0000 N.am 1 PAL311 0.0000
9 C2 -1.1958 0.7027 0.4587 C.3 1 PAL311 0.0000
10 C4 -0.8286 2.1115 0.8524 C.2 1 PAL311 0.0000
11 O2 -1.7568 2.9542 0.9852 O.co2 1 PAL311 0.0000
12 O3 0.3887 2.3869 1.0299 O.co2 1 PAL311 0.0000
13 C3 -1.8615 -0.0166 1.6628 C.3 1 PAL311 0.0000
14 C5 -0.9573 0.0018 2.8700 C.2 1 PAL311 0.0000
15 O4 0.2011 -0.4835 2.7525 O.co2 1 PAL311 0.0000
16 O5 -1.3946 0.4992 3.9442 O.co2 1 PAL311 0.0000
17 **** 1.6975 -1.5062 -1.4467 H 1 PAL311 0.0000
18 **** 2.0770 -0.2293 -2.6432 H 1 PAL311 0.0000
19 **** 0.4320 -0.6684 0.6079 H 1 PAL311 0.0000
20 **** -1.9323 0.7412 -0.3625 H 1 PAL311 0.0000
21 **** -2.0786 -1.0627 1.3908 H 1 PAL311 0.0000
22 **** -2.8158 0.4801 1.9047 H 1 PAL311 0.0000
@<TRIPOS>BOND
1 1 5 1
2 1 4 ar
3 1 3 ar
4 1 2 ar
5 5 6 1
6 6 8 am
7 6 7 2
8 8 9 1
9 9 13 1
10 9 10 1
11 10 12 ar
12 10 11 ar
13 13 14 1
14 14 16 ar
15 14 15 ar
16 5 17 1
17 5 18 1
18 8 19 1
19 9 20 1
20 13 21 1
21 13 22 1
@<TRIPOS>SUBSTRUCTURE
1 PAL311 1 GROUP 0 A **** 0 ROOT
@<TRIPOS>SET
UNK_ATOMS STATIC ATOMS AMSOM ****
16 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
@<TRIPOS>NORMAL
@<TRIPOS>FF_PBC
FORCE_FIELD_SETUP_FEATURE Force Field Setup information
v1.0 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 NONE 0 0 0 0 0 0 0 0 0 0 0 0 0
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