| 6XBO_5MC_A_401 |
| RDKit 3D |
|
|
| 38 39 0 0 0 0 0 0 0 0999 V2000 |
| 4.9898 -0.8294 -1.5974 P 0 0 1 0 0 0 0 0 0 0 0 0 |
| 5.8310 -1.9669 -2.0604 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7722 0.1338 -0.5964 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5575 0.1502 -2.7763 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6430 -1.2284 -0.8323 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7478 -0.1858 -0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6713 -0.7330 0.4573 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 0.7479 0.3007 0.8257 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8501 -1.8467 -0.1853 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.4710 -3.1311 -0.0806 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4398 -1.8021 0.6203 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -0.3257 -2.7007 1.7441 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5109 -0.3414 1.1133 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.5956 0.4844 0.5866 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8012 0.5660 -0.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1117 -0.0736 -1.5799 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8180 1.3633 -1.2542 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5315 2.0617 -0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5209 2.8206 -0.9938 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3182 2.0522 1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3402 1.2458 1.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1418 2.9179 1.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4099 -0.3715 -0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2387 0.1834 -3.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2937 0.2366 -1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2884 0.6248 0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1533 -1.1094 1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6582 -1.6407 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3264 -3.0545 -0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3153 -2.1297 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2219 -3.4421 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5946 -0.3563 2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3882 2.8940 -0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6684 2.5654 -1.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0920 1.1723 2.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8260 2.8397 2.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1964 2.6284 1.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0529 3.9690 1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 1 3 1 6 |
| 1 4 1 0 |
| 1 5 1 0 |
| 5 6 1 0 |
| 7 6 1 0 |
| 7 8 1 0 |
| 7 9 1 0 |
| 9 10 1 0 |
| 9 11 1 0 |
| 11 12 1 0 |
| 8 13 1 0 |
| 11 13 1 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 15 16 2 0 |
| 15 17 1 0 |
| 17 18 2 0 |
| 18 19 1 0 |
| 18 20 1 0 |
| 14 21 1 0 |
| 20 21 2 0 |
| 20 22 1 0 |
| 3 23 1 0 |
| 4 24 1 0 |
| 6 25 1 0 |
| 6 26 1 0 |
| 7 27 1 1 |
| 9 28 1 6 |
| 10 29 1 0 |
| 11 30 1 6 |
| 12 31 1 0 |
| 13 32 1 1 |
| 19 33 1 0 |
| 19 34 1 0 |
| 21 35 1 0 |
| 22 36 1 0 |
| 22 37 1 0 |
| 22 38 1 0 |
| M END |
| $$$$ |
|
|
