| 6XM9_V55_A_501 |
| RDKit 3D |
|
|
| 19 19 0 0 0 0 0 0 0 0999 V2000 |
| 1.2541 -0.6178 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1426 -0.7006 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8417 0.2962 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1259 1.3588 0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2580 1.4450 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2063 -1.6618 -1.3538 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9550 0.4492 0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9881 -1.6772 -1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9688 -0.7041 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1996 0.3540 0.4512 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7864 2.3502 1.5124 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6568 -1.5399 -0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7863 2.2802 1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0386 0.5058 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3814 -2.4917 -1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8655 -0.7319 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0208 -0.5106 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7004 -1.6664 0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7313 2.1069 1.4660 H 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 |
| 1 7 1 0 |
| 5 7 2 0 |
| 1 8 1 0 |
| 6 8 2 0 |
| 3 10 1 0 |
| 9 10 1 0 |
| 4 11 1 0 |
| 2 12 1 0 |
| 5 13 1 0 |
| 7 14 1 0 |
| 8 15 1 0 |
| 9 16 1 0 |
| 9 17 1 0 |
| 9 18 1 0 |
| 11 19 1 0 |
| M END |
| $$$$ |
|
|
