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@<TRIPOS>MOLECULE
1a5b_PLP_B_1
15 15 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 P 79.6600 12.7040 13.8890 P.3 1 UNL1 0.5329
2 O 78.2660 12.6020 13.5480 O.3 1 UNL1 -0.1145
3 O 79.8910 12.6790 15.3470 O.3 1 UNL1 -0.1145
4 O 80.3390 11.6260 13.3960 O.2 1 UNL1 -0.2224
5 O 80.0320 14.0520 13.4720 O.3 1 UNL1 -0.2653
6 N 84.5420 13.7910 11.8870 N.2 1 UNL1 -0.2452
7 C 84.5720 14.2770 10.5470 C.2 1 UNL1 0.0978
8 C 85.9160 14.2420 9.8360 C.3 1 UNL1 0.0555
9 C 83.3350 14.8810 10.0260 C.2 1 UNL1 0.2049
10 O 83.3390 15.3910 8.7670 O.2 1 UNL1 -0.2857
11 C 82.0580 14.9790 10.9600 C.2 1 UNL1 0.0182
12 C 80.6040 15.3460 10.2720 C.3 1 UNL1 0.0342
13 C 82.1410 14.4780 12.3430 C.2 1 UNL1 0.0261
14 C 81.1680 14.8120 13.4140 C.3 1 UNL1 0.1815
15 C 83.4130 13.8460 12.7670 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 4 1 2
12 14 5 1
13 5 1 1
14 2 1 1
15 1 3 1
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