| @<TRIPOS>MOLECULE | |
| 1a0g_PMP_B_1 | |
| 16 16 0 0 0 | |
| SMALL | |
| GASTEIGER | |
| @<TRIPOS>ATOM | |
| 1 P 21.7000 7.6060 34.1330 P.3 1 UNL1 0.5329 | |
| 2 O 22.3450 6.3180 34.0750 O.2 1 UNL1 -0.2224 | |
| 3 O 20.1740 7.3530 34.2910 O.3 1 UNL1 -0.1145 | |
| 4 O 22.1430 8.6210 35.1120 O.3 1 UNL1 -0.1145 | |
| 5 O 21.7660 8.2010 32.7000 O.3 1 UNL1 -0.2653 | |
| 6 N 22.3070 10.6990 29.0430 N.2 1 UNL1 -0.2452 | |
| 7 C 23.5350 11.2990 29.2180 C.2 1 UNL1 0.0978 | |
| 8 C 24.2170 11.9360 28.0140 C.3 1 UNL1 0.0555 | |
| 9 C 24.1380 11.3110 30.4750 C.2 1 UNL1 0.2063 | |
| 10 O 25.3650 11.9330 30.6820 O.2 1 UNL1 -0.2856 | |
| 11 C 23.4990 10.7240 31.5440 C.2 1 UNL1 0.0369 | |
| 12 C 24.2170 10.6820 32.9290 C.3 1 UNL1 0.1386 | |
| 13 N 23.7030 11.4840 33.9070 N.3 1 UNL1 -0.1261 | |
| 14 C 22.2460 10.1300 31.3570 C.2 1 UNL1 0.0275 | |
| 15 C 21.4670 9.5690 32.5370 C.3 1 UNL1 0.1816 | |
| 16 C 21.6650 10.1180 30.1070 C.2 1 UNL1 0.0965 | |
| @<TRIPOS>BOND | |
| 1 8 7 1 | |
| 2 6 7 2 | |
| 3 6 16 1 | |
| 4 7 9 1 | |
| 5 16 14 2 | |
| 6 9 10 1 | |
| 7 9 11 2 | |
| 8 14 11 1 | |
| 9 14 15 1 | |
| 10 11 12 1 | |
| 11 15 5 1 | |
| 12 5 1 1 | |
| 13 12 13 1 | |
| 14 2 1 2 | |
| 15 1 3 1 | |
| 16 1 4 1 | |