| 7B94_ANP_A_401 |
| RDKit 3D |
|
|
| 48 50 0 0 0 0 0 0 0 0999 V2000 |
| 3.0094 -2.0742 -2.6270 P 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.3977 -2.8725 -3.7227 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2050 -0.7083 -2.4361 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4364 -1.4963 -3.0515 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6612 -1.8485 -0.0274 P 0 0 1 0 0 0 0 0 0 0 0 0 |
| 4.1176 -2.5614 1.2059 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8684 -0.9659 -0.6309 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1506 -2.8020 -1.2116 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7472 0.4879 1.2333 P 0 0 2 0 0 0 0 0 0 0 0 0 |
| 3.8534 1.3959 0.8024 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9527 -0.1341 2.6919 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5361 -0.7817 0.3127 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2884 1.1432 1.3506 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1942 2.4213 1.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2694 2.7367 2.2907 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -1.0189 2.8061 1.0498 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9427 1.6668 3.1524 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -1.9886 2.2670 3.9402 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5678 0.7372 2.1293 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -2.6564 0.0257 2.7244 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9775 1.7247 1.0284 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.0151 1.1489 -0.3037 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5933 1.7442 -1.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8391 1.0015 -2.5255 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4914 -0.1082 -2.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0322 -1.2444 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0043 -1.4494 -4.0261 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6019 -2.1960 -1.8758 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6589 -1.9885 -0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1827 -0.9418 0.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6064 -0.0405 -0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9080 -0.3662 -3.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9191 -1.1100 -2.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3246 -0.4367 0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6377 -3.6839 -1.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3696 -0.8984 2.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5839 3.1576 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8027 2.4408 2.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3336 3.7217 2.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2704 1.1653 3.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6237 1.5416 4.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8262 0.0099 1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0347 -0.5237 2.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9780 2.1448 1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1299 2.7237 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0969 -2.4269 -4.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3027 -0.9045 -4.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1494 -2.7757 0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 1 3 1 1 |
| 1 4 1 0 |
| 5 6 2 0 |
| 5 7 1 6 |
| 1 8 1 0 |
| 5 8 1 0 |
| 9 10 2 0 |
| 9 11 1 1 |
| 5 12 1 0 |
| 9 12 1 0 |
| 9 13 1 0 |
| 13 14 1 0 |
| 15 14 1 0 |
| 15 16 1 0 |
| 15 17 1 0 |
| 17 18 1 0 |
| 17 19 1 0 |
| 19 20 1 0 |
| 16 21 1 0 |
| 19 21 1 0 |
| 21 22 1 0 |
| 22 23 1 0 |
| 23 24 2 0 |
| 24 25 1 0 |
| 25 26 1 0 |
| 26 27 1 0 |
| 26 28 2 0 |
| 28 29 1 0 |
| 29 30 2 0 |
| 22 31 1 0 |
| 25 31 2 0 |
| 30 31 1 0 |
| 3 32 1 0 |
| 4 33 1 0 |
| 7 34 1 0 |
| 8 35 1 0 |
| 11 36 1 0 |
| 14 37 1 0 |
| 14 38 1 0 |
| 15 39 1 1 |
| 17 40 1 1 |
| 18 41 1 0 |
| 19 42 1 6 |
| 20 43 1 0 |
| 21 44 1 1 |
| 23 45 1 0 |
| 27 46 1 0 |
| 27 47 1 0 |
| 29 48 1 0 |
| M END |
| $$$$ |
|
|
