|
|
| RDKit 3D |
|
|
| 33 36 0 0 0 0 0 0 0 0999 V2000 |
| 0.4168 7.3244 -1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4745 6.6920 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1637 5.3336 0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2115 4.5823 -0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2610 5.2411 -2.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0499 6.5995 -2.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5416 3.1499 -0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3238 2.2587 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0080 0.9027 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1909 0.3975 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0513 1.2804 -1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7304 2.6376 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4517 -0.9947 -0.3918 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7506 -1.2864 0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9111 -2.8158 0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8081 -3.5472 -0.8449 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5282 -3.2074 -1.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3492 -1.6828 -1.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9099 -4.9887 -0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8177 -0.0521 0.6882 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9931 0.1473 1.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5771 1.2054 1.5578 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5313 -1.1113 1.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5933 -1.1422 3.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0762 -2.2521 3.9454 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5333 -3.3751 3.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9500 -4.3617 3.8954 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4945 -3.3289 1.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0136 -2.2464 1.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9969 -2.1639 -0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7311 -2.2409 -0.8016 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5457 -1.0200 -0.7890 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6818 -3.1867 -0.8960 F 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 |
| 4 7 1 0 |
| 7 8 2 0 |
| 8 9 1 0 |
| 9 10 2 0 |
| 10 11 1 0 |
| 11 12 2 0 |
| 10 13 1 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 15 16 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 16 19 1 0 |
| 9 20 1 0 |
| 20 21 1 0 |
| 21 22 2 0 |
| 21 23 1 0 |
| 23 24 2 0 |
| 24 25 1 0 |
| 25 26 1 0 |
| 26 27 2 0 |
| 26 28 1 0 |
| 28 29 2 0 |
| 29 30 1 0 |
| 30 31 1 0 |
| 30 32 1 0 |
| 30 33 1 0 |
| 6 1 1 0 |
| 12 7 1 0 |
| 18 13 1 0 |
| 29 23 1 0 |
| M END |
| $$$$ |
|
|
