|
|
| RDKit 3D |
|
|
| 23 25 0 0 0 0 0 0 0 0999 V2000 |
| -4.4935 2.9553 -0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2213 2.9656 -1.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9019 1.8371 0.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9897 0.5649 -0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7446 -0.6532 0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5200 -0.4745 1.3119 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5482 0.7500 2.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7664 1.9941 1.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3259 -0.7042 0.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2021 -0.1307 1.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9522 -0.3723 0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1177 0.2087 0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3620 -0.0052 0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4466 -0.8346 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2825 -1.4195 -1.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0319 -1.1831 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1881 -1.7114 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3434 -1.4886 -0.4584 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2862 -2.5329 -2.2265 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6956 -1.0027 -1.3395 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8371 -1.9372 -2.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5422 0.5453 0.7649 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5082 1.3386 1.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 1 3 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 5 6 1 0 |
| 6 7 1 0 |
| 7 8 1 0 |
| 6 9 1 0 |
| 9 10 2 0 |
| 10 11 1 0 |
| 11 12 2 0 |
| 12 13 1 0 |
| 13 14 2 0 |
| 14 15 1 0 |
| 15 16 2 0 |
| 16 17 1 0 |
| 17 18 2 0 |
| 17 19 1 0 |
| 14 20 1 0 |
| 20 21 1 0 |
| 13 22 1 0 |
| 22 23 1 0 |
| 8 3 1 0 |
| 18 9 1 0 |
| 16 11 1 0 |
| M END |
| $$$$ |
|
|
