|
|
| RDKit 3D |
|
|
| 28 31 0 0 0 0 0 0 0 0999 V2000 |
| 6.7023 -0.8284 -1.9607 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4999 -0.7877 -0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5721 -1.6352 0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2981 -1.4850 1.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9377 -0.4615 2.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8140 0.4111 1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0769 0.2589 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1746 -2.5434 2.3649 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6216 -1.7668 1.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4645 -0.4811 2.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2766 0.0784 2.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2657 -0.5736 1.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4447 -1.8611 0.9094 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6179 -2.4520 1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7354 -3.7885 0.8324 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9386 0.1000 0.9738 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9982 -0.8213 0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3184 -0.0600 0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1921 1.1752 -0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0096 2.0358 -0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7159 1.2310 0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0386 0.7492 -2.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3582 0.4377 -2.4848 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2978 1.2653 -1.7684 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.4952 1.9908 -0.6659 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -5.1835 2.2694 0.5901 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4566 0.3927 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8105 -2.8909 -0.8570 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 2 0 |
| 3 4 1 0 |
| 4 5 2 0 |
| 5 6 1 0 |
| 6 7 2 0 |
| 4 8 1 0 |
| 8 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 |
| 12 16 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 19 22 1 0 |
| 22 23 1 0 |
| 23 24 1 0 |
| 24 25 1 0 |
| 25 26 1 1 |
| 24 27 1 1 |
| 3 28 1 0 |
| 7 2 1 0 |
| 14 9 1 0 |
| 21 16 1 0 |
| 25 19 1 0 |
| M END |
| $$$$ |
|
|
