|
|
| RDKit 3D |
|
|
| 36 40 0 0 0 0 0 0 0 0999 V2000 |
| 7.3413 1.8622 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4720 1.7213 0.8908 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2274 0.9676 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9455 1.1479 0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9218 0.2722 0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1449 -0.7654 1.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4419 -0.9243 2.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4756 -0.0660 1.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1615 -1.6836 1.9843 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8455 -1.9065 1.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1653 -2.7837 2.3397 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1104 -3.0327 1.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7315 -2.4564 0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1448 -2.7447 0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9832 -1.5665 0.7008 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8060 -0.5430 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7932 -0.4302 -1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4617 -0.8804 -1.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0378 -1.5672 0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3226 -1.3007 0.5145 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4233 -0.6658 -2.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0073 -0.0491 -3.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3114 0.3642 -3.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2119 0.1769 -2.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8344 1.1137 -4.8717 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6710 0.6386 0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0573 0.5753 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8423 1.7097 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2468 2.8971 0.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8653 2.9563 0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0850 1.8298 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7582 1.9155 0.7827 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6440 -0.5558 -0.4957 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3535 -1.2498 0.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7820 2.1822 -0.6007 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4790 2.3913 -1.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 1 3 1 0 |
| 3 4 2 0 |
| 4 5 1 0 |
| 5 6 2 0 |
| 6 7 1 0 |
| 7 8 2 0 |
| 6 9 1 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 2 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 15 16 2 0 |
| 16 17 1 0 |
| 17 18 2 0 |
| 18 19 1 0 |
| 19 20 2 0 |
| 18 21 1 0 |
| 21 22 2 0 |
| 22 23 1 0 |
| 23 24 2 0 |
| 23 25 1 0 |
| 16 26 1 0 |
| 26 27 2 0 |
| 27 28 1 0 |
| 28 29 2 0 |
| 29 30 1 0 |
| 30 31 2 0 |
| 31 32 1 0 |
| 27 33 1 0 |
| 33 34 1 0 |
| 4 35 1 0 |
| 35 36 1 0 |
| 8 3 1 0 |
| 20 10 1 0 |
| 19 13 1 0 |
| 24 17 1 0 |
| 31 26 1 0 |
| M END |
| $$$$ |
|
|
