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@<TRIPOS>MOLECULE
1a5a_PLP_B_1
15 15 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 P 80.0380 12.7410 13.9710 P.3 1 UNL1 0.5329
2 O 78.6430 12.5360 13.6010 O.3 1 UNL1 -0.1145
3 O 80.1900 12.8190 15.4510 O.3 1 UNL1 -0.1145
4 O 80.7790 11.6460 13.5520 O.2 1 UNL1 -0.2224
5 O 80.3900 14.1140 13.5310 O.3 1 UNL1 -0.2653
6 N 84.8210 13.7150 11.8930 N.2 1 UNL1 -0.2452
7 C 84.8620 14.1610 10.5500 C.2 1 UNL1 0.0978
8 C 86.1730 14.0340 9.8400 C.3 1 UNL1 0.0555
9 C 83.6760 14.8100 10.0400 C.2 1 UNL1 0.2049
10 O 83.7040 15.3340 8.7800 O.2 1 UNL1 -0.2857
11 C 82.4250 14.9790 11.0050 C.2 1 UNL1 0.0182
12 C 80.9520 15.3130 10.3560 C.3 1 UNL1 0.0342
13 C 82.5230 14.5100 12.3790 C.2 1 UNL1 0.0261
14 C 81.5520 14.8850 13.4570 C.3 1 UNL1 0.1815
15 C 83.7440 13.8380 12.7770 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 12 11 1
6 7 6 2
7 11 13 1
8 6 15 1
9 13 15 2
10 13 14 1
11 14 5 1
12 5 1 1
13 4 1 2
14 2 1 1
15 1 3 1
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