|
|
| RDKit 3D |
|
|
| 30 34 0 0 0 0 0 0 0 0999 V2000 |
| -5.8287 0.5014 -1.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2911 1.6145 -0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7688 1.5422 -0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3874 0.1995 0.0476 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8084 -0.8854 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3323 -0.8659 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0319 0.1358 0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9941 0.1286 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3696 0.0675 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6782 0.0144 1.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3497 0.0285 2.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7000 0.0970 1.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7608 0.0886 2.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2715 -1.3156 3.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0863 -0.0574 1.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3281 -0.1028 2.9263 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1238 -0.0684 0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8301 -0.0146 -0.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4575 0.0608 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2596 -1.1657 -2.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3599 1.3579 -2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0158 -0.0414 -1.3227 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0739 -0.1117 -0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5408 -0.1301 0.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4260 -0.2001 1.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8070 -0.2492 1.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3143 -0.2293 0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4523 -0.1599 -0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7319 -0.2802 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.8775 -0.3210 0.0154 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 5 6 1 0 |
| 4 7 1 0 |
| 7 8 2 0 |
| 8 9 1 0 |
| 9 10 2 0 |
| 10 11 1 0 |
| 11 12 2 0 |
| 12 13 1 0 |
| 13 14 1 0 |
| 10 15 1 0 |
| 15 16 2 0 |
| 15 17 1 0 |
| 17 18 2 0 |
| 18 19 1 0 |
| 19 20 1 0 |
| 19 21 1 0 |
| 18 22 1 0 |
| 22 23 1 0 |
| 23 24 2 0 |
| 24 25 1 0 |
| 25 26 2 0 |
| 26 27 1 0 |
| 27 28 2 0 |
| 27 29 1 0 |
| 29 30 3 0 |
| 6 1 1 0 |
| 12 7 1 0 |
| 19 9 1 0 |
| 24 17 1 0 |
| 28 23 1 0 |
| M END |
| $$$$ |
|
|
