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@<TRIPOS>MOLECULE
1a5s_PLP_B_1
15 15 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 P 79.5860 12.3030 14.0660 P.3 1 UNL1 0.5329
2 O 78.2180 12.0800 13.5520 O.2 1 UNL1 -0.2224
3 O 79.7230 12.5400 15.5140 O.3 1 UNL1 -0.1145
4 O 80.5480 11.3060 13.5520 O.3 1 UNL1 -0.1145
5 O 79.8930 13.7240 13.4930 O.3 1 UNL1 -0.2653
6 N 84.1800 13.6190 11.8070 N.2 1 UNL1 -0.2452
7 C 83.9590 14.2850 10.6320 C.2 1 UNL1 0.0978
8 C 85.0180 14.2450 9.5240 C.3 1 UNL1 0.0555
9 C 82.8020 15.0030 10.4570 C.2 1 UNL1 0.2049
10 O 82.5760 15.6570 9.2720 O.2 1 UNL1 -0.2857
11 C 81.8690 15.0590 11.4630 C.2 1 UNL1 0.0182
12 C 80.5700 15.8940 11.2890 C.3 1 UNL1 0.0342
13 C 82.0930 14.3960 12.6380 C.2 1 UNL1 0.0261
14 C 81.0680 14.4770 13.7710 C.3 1 UNL1 0.1815
15 C 83.2470 13.6730 12.8090 C.2 1 UNL1 0.0965
@<TRIPOS>BOND
1 10 9 1
2 8 7 1
3 9 7 1
4 9 11 2
5 7 6 2
6 12 11 1
7 11 13 1
8 6 15 1
9 13 15 2
10 13 14 1
11 5 14 1
12 5 1 1
13 2 1 2
14 4 1 1
15 1 3 1
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