|
|
| RDKit 3D |
|
|
| 25 28 0 0 0 0 0 0 0 0999 V2000 |
| -0.1417 4.9518 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2345 4.4099 0.7002 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2357 3.0634 0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1968 2.2534 0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8643 2.9373 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9239 4.2812 -0.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2846 0.7526 0.5051 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.0496 0.0575 0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5968 -0.7805 -0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8613 -1.1025 -1.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3071 -0.0919 -1.8197 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.1219 0.1603 -0.5884 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8550 -1.0323 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1535 -0.7002 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1229 0.1523 -0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8346 -1.9886 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8352 0.0007 1.8158 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1642 -0.4778 -3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8632 -1.2094 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8735 -2.0494 -0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0329 -2.2608 0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1931 -1.6511 1.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2036 -0.8151 2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0495 -0.6130 1.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9294 0.1451 1.6254 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 2 3 1 0 |
| 3 4 2 0 |
| 4 5 1 0 |
| 5 6 2 0 |
| 7 4 1 6 |
| 7 8 1 0 |
| 8 9 2 0 |
| 9 10 1 0 |
| 10 11 1 0 |
| 11 12 1 0 |
| 12 13 1 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 14 16 1 0 |
| 14 17 1 0 |
| 11 18 1 6 |
| 9 19 1 0 |
| 19 20 2 0 |
| 20 21 1 0 |
| 21 22 2 0 |
| 22 23 1 0 |
| 23 24 2 0 |
| 24 25 1 0 |
| 6 1 1 0 |
| 12 7 1 0 |
| 25 8 1 0 |
| 24 19 1 0 |
| M END |
| $$$$ |
|
|
