| 6XCT_478_A_401 |
| RDKit 3D |
|
|
| 70 72 0 0 0 0 0 0 0 0999 V2000 |
| 4.8179 -2.0618 -1.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2133 -3.0829 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8281 -0.2746 0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0915 -1.8514 -0.2825 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.1746 1.3345 1.8003 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.2814 0.7779 1.7551 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.2410 2.8813 1.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7889 3.5792 0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7144 3.9153 -0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5601 3.9049 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2964 4.5589 -1.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9765 4.5458 -0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0489 4.8733 -1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3388 -0.7630 1.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8453 -0.9775 2.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7393 -1.4332 3.7800 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.3394 -0.4214 -0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3836 0.2212 -1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7413 1.3669 -2.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0586 1.8416 -2.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9942 1.2062 -1.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6504 0.0607 -0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6230 -2.9553 3.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9628 -0.9484 4.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1349 -4.1380 -0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0186 0.8069 0.7333 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6584 -1.3754 1.5206 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3807 3.0520 -3.0744 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3421 -0.6363 -0.2998 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0164 -0.8465 1.9603 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0348 1.3692 2.8293 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6502 -2.3777 -0.6052 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0861 -2.7562 -0.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9843 -3.4790 -1.7642 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9137 -1.9054 -0.0750 S 0 0 2 0 0 0 0 0 0 0 0 0 |
| 4.2409 -1.6812 -2.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7959 -1.5739 -1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3379 -2.9454 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8439 -3.3325 0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8212 -1.8572 0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6051 1.0059 2.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7581 1.0904 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2785 3.1824 2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6637 3.2691 2.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7707 3.6859 -0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3004 3.6597 1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0218 4.8200 -2.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0292 4.7793 -0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3785 5.3741 -2.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4152 -1.2233 1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0791 -1.0738 2.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9958 0.1045 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7521 -1.4258 1.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8542 -0.9880 4.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3634 -0.1520 -1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9806 1.8873 -3.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0072 1.5946 -1.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4075 -0.4439 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5874 -3.2650 4.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7101 -3.3193 3.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4779 -3.4534 3.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8857 -1.3815 4.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0491 0.1419 4.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8867 -1.2321 5.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5909 -4.9503 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7755 -4.5658 -0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8762 1.1141 -0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7829 3.2815 -3.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3678 3.1524 -3.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6791 1.0305 3.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 4 1 0 |
| 2 4 1 0 |
| 5 6 1 0 |
| 5 7 1 0 |
| 7 8 1 0 |
| 8 9 2 0 |
| 8 10 1 0 |
| 9 11 1 0 |
| 10 12 2 0 |
| 11 13 2 0 |
| 12 13 1 0 |
| 6 14 1 0 |
| 15 16 1 0 |
| 17 18 2 0 |
| 18 19 1 0 |
| 19 20 2 0 |
| 20 21 1 0 |
| 17 22 1 0 |
| 21 22 2 0 |
| 16 23 1 0 |
| 16 24 1 0 |
| 2 25 1 0 |
| 3 26 1 0 |
| 5 26 1 0 |
| 14 27 1 0 |
| 15 27 1 0 |
| 20 28 1 0 |
| 3 29 1 0 |
| 4 29 1 0 |
| 3 30 2 0 |
| 6 31 1 0 |
| 1 34 1 0 |
| 25 34 1 0 |
| 17 35 1 0 |
| 35 27 1 6 |
| 32 35 2 0 |
| 33 35 2 0 |
| 1 36 1 0 |
| 1 37 1 0 |
| 2 38 1 0 |
| 2 39 1 0 |
| 4 40 1 1 |
| 5 41 1 1 |
| 6 42 1 6 |
| 7 43 1 0 |
| 7 44 1 0 |
| 9 45 1 0 |
| 10 46 1 0 |
| 11 47 1 0 |
| 12 48 1 0 |
| 13 49 1 0 |
| 14 50 1 0 |
| 14 51 1 0 |
| 15 52 1 0 |
| 15 53 1 0 |
| 16 54 1 1 |
| 18 55 1 0 |
| 19 56 1 0 |
| 21 57 1 0 |
| 22 58 1 0 |
| 23 59 1 0 |
| 23 60 1 0 |
| 23 61 1 0 |
| 24 62 1 0 |
| 24 63 1 0 |
| 24 64 1 0 |
| 25 65 1 0 |
| 25 66 1 0 |
| 26 67 1 0 |
| 28 68 1 0 |
| 28 69 1 0 |
| 31 70 1 0 |
| M END |
| $$$$ |
|
|
