|
|
| RDKit 3D |
|
|
| 27 29 0 0 0 0 0 0 0 0999 V2000 |
| 4.6367 -1.6577 0.9384 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8164 -0.9558 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9585 0.4472 0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6908 1.2793 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4287 0.5347 0.5990 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 3.4130 -0.8858 1.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4281 0.4962 -0.8631 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2755 0.0612 -1.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4567 -0.5388 -2.6683 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3473 -0.9588 -3.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0762 -0.8080 -2.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0245 -0.1838 -1.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0783 0.2366 -0.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3139 -0.0175 -0.9881 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6731 0.4439 0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8260 0.2402 1.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1827 0.6384 2.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4151 1.2354 2.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2998 1.4115 1.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9420 0.9941 0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1624 1.2329 -0.7038 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8762 2.4540 -0.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4889 1.1053 -1.9858 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2933 -0.1518 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5994 -1.4959 -0.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4577 -0.0116 -1.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2803 -1.3809 -3.6941 Cl 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 |
| 5 7 1 6 |
| 7 8 1 0 |
| 8 9 2 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 2 0 |
| 12 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 |
| 20 21 1 0 |
| 21 22 2 0 |
| 21 23 2 0 |
| 21 24 1 0 |
| 24 25 1 0 |
| 24 26 1 0 |
| 11 27 1 0 |
| 6 1 1 0 |
| 13 8 1 0 |
| 20 15 1 0 |
| M END |
| $$$$ |
|
|
