|
|
| RDKit 3D |
|
|
| 42 46 0 0 0 0 0 0 0 0999 V2000 |
| 9.0730 2.0918 -0.0775 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6883 3.1344 -1.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7750 2.6026 -2.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5569 1.9545 -1.6493 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9206 0.9190 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8453 1.4686 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7539 1.4039 -2.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3731 0.9534 -2.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9477 -0.3612 -2.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6663 -0.7684 -2.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7749 0.1250 -1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2079 1.4421 -1.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4882 1.8519 -1.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4276 -0.3064 -1.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7104 0.3702 -1.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9917 -0.0482 -1.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1707 -1.1607 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0333 -1.8788 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2419 -1.4235 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1381 -3.0302 0.8734 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6307 -4.2396 0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6696 -4.7778 -0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4489 -3.0277 2.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4343 -3.2483 3.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5857 -4.7031 3.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3140 -5.3153 3.9411 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4465 -5.3513 2.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7725 -3.9455 2.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5580 -1.5452 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1566 0.7114 -1.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1020 0.1309 -2.2413 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0796 2.0754 -1.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1948 2.9477 -1.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0023 3.1537 -0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2134 2.6241 -0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8771 2.9511 0.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3153 3.7855 1.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0888 4.3310 1.5390 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3715 4.0757 0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2622 4.5719 0.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9459 4.1630 3.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9823 1.6759 -1.1974 C 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 |
| 4 7 1 0 |
| 7 8 1 0 |
| 8 9 2 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 2 0 |
| 11 14 1 0 |
| 14 15 2 0 |
| 15 16 1 0 |
| 16 17 2 0 |
| 17 18 1 0 |
| 18 19 2 0 |
| 18 20 1 0 |
| 20 21 1 0 |
| 21 22 1 0 |
| 20 23 1 0 |
| 23 24 1 0 |
| 24 25 1 0 |
| 25 26 1 0 |
| 26 27 1 0 |
| 27 28 1 0 |
| 17 29 1 0 |
| 16 30 1 0 |
| 30 31 2 0 |
| 30 32 1 0 |
| 32 33 1 0 |
| 33 34 1 0 |
| 34 35 2 0 |
| 35 36 1 0 |
| 36 37 2 0 |
| 37 38 1 0 |
| 38 39 1 0 |
| 39 40 2 0 |
| 37 41 1 0 |
| 35 42 1 0 |
| 6 1 1 0 |
| 13 8 1 0 |
| 19 14 1 0 |
| 28 23 1 0 |
| 39 34 1 0 |
| M END |
| $$$$ |
|
|
