|
|
| RDKit 3D |
|
|
| 21 22 0 0 0 0 0 0 0 0999 V2000 |
| -2.7800 1.8971 3.2792 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9463 0.4959 3.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1895 -0.4434 2.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1267 -0.2743 1.4992 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1916 -0.9601 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2913 -1.4976 -0.2055 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9016 -2.0240 -1.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5568 -1.7910 -1.6664 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1001 -1.1705 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3039 -0.7461 -0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0212 -0.7322 0.5952 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3924 -1.2651 1.7222 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7493 -0.3852 -1.7535 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9947 0.1211 -2.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9802 0.5886 -1.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2014 1.0739 -1.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4515 1.0993 -3.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4912 0.6462 -4.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2724 0.1620 -3.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6145 1.5605 -3.6154 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5027 1.6974 -0.5421 Br 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 2 0 |
| 6 7 1 0 |
| 7 8 1 0 |
| 8 9 2 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 10 13 1 0 |
| 13 14 1 0 |
| 14 15 2 0 |
| 15 16 1 0 |
| 16 17 2 0 |
| 17 18 1 0 |
| 18 19 2 0 |
| 17 20 1 0 |
| 16 21 1 0 |
| 9 5 1 0 |
| 19 14 1 0 |
| M END |
| $$$$ |
|
|
