| @<TRIPOS>MOLECULE | |
| 1a0g_PMP_A_1 | |
| 16 16 0 0 0 | |
| SMALL | |
| GASTEIGER | |
| @<TRIPOS>ATOM | |
| 1 P 47.5950 22.0140 11.5570 P.3 1 UNL1 0.5329 | |
| 2 O 47.0540 23.3140 11.9400 O.3 1 UNL1 -0.1145 | |
| 3 O 48.4920 22.3300 10.3370 O.2 1 UNL1 -0.2224 | |
| 4 O 48.3850 21.1910 12.4970 O.3 1 UNL1 -0.1145 | |
| 5 O 46.3980 21.1920 10.9890 O.3 1 UNL1 -0.2653 | |
| 6 N 42.7380 18.5790 11.1750 N.2 1 UNL1 -0.2452 | |
| 7 C 42.6360 18.0450 12.4440 C.2 1 UNL1 0.0978 | |
| 8 C 41.3420 17.3280 12.8560 C.3 1 UNL1 0.0555 | |
| 9 C 43.7220 18.0950 13.3200 C.2 1 UNL1 0.2063 | |
| 10 O 43.6220 17.5660 14.5900 O.2 1 UNL1 -0.2856 | |
| 11 C 44.9050 18.6980 12.9250 C.2 1 UNL1 0.0369 | |
| 12 C 46.1480 18.7650 13.8910 C.3 1 UNL1 0.1386 | |
| 13 N 45.8810 18.7870 15.2390 N.3 1 UNL1 -0.1261 | |
| 14 C 45.0020 19.2200 11.6410 C.2 1 UNL1 0.0275 | |
| 15 C 46.3410 19.7870 11.1560 C.3 1 UNL1 0.1816 | |
| 16 C 43.9110 19.1770 10.7790 C.2 1 UNL1 0.0965 | |
| @<TRIPOS>BOND | |
| 1 3 1 2 | |
| 2 16 6 2 | |
| 3 16 14 1 | |
| 4 5 15 1 | |
| 5 5 1 1 | |
| 6 15 14 1 | |
| 7 6 7 1 | |
| 8 1 2 1 | |
| 9 1 4 1 | |
| 10 14 11 2 | |
| 11 7 8 1 | |
| 12 7 9 2 | |
| 13 11 9 1 | |
| 14 11 12 1 | |
| 15 9 10 1 | |
| 16 12 13 1 | |