| 6XCT_478_A_401 |
| RDKit 3D |
|
|
| 70 72 0 0 0 0 0 0 0 0999 V2000 |
| 5.0410 1.1881 3.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0318 0.0612 3.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0050 1.6226 1.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5466 1.3039 3.1075 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.5779 1.5514 -0.6563 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.1468 0.1976 -0.3993 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 0.6983 2.0187 -2.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6984 1.3062 -3.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0146 1.7855 -3.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3320 0.1791 -3.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9435 1.1479 -3.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2630 -0.4591 -4.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5671 0.0244 -4.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5601 0.1376 -1.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1329 -2.1675 -1.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3252 -2.2189 -2.8085 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.0445 -0.3910 1.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3566 0.0271 1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8560 1.1391 2.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0710 1.8109 3.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7475 1.4012 3.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2385 0.2832 2.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6378 -2.5965 -2.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5021 -0.9261 -3.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9293 -0.0144 5.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8843 1.5674 0.0071 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3238 -1.1384 -0.7672 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5282 3.0053 3.7066 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2789 1.3195 1.7043 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0980 1.8712 2.1398 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6428 -0.9063 -0.8489 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4235 -2.8024 0.8456 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0562 -2.0552 1.2404 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2062 0.5049 4.6157 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4128 -1.7665 0.8200 S 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.5490 0.6100 2.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5229 2.1687 3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1682 -0.8164 3.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9715 0.1084 4.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1664 2.2136 3.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0313 2.3149 -0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2142 0.1030 0.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9808 3.0822 -2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2828 2.0121 -2.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3231 2.6662 -2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3234 -0.2175 -3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9575 1.5314 -4.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9689 -1.3362 -5.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2878 -0.4745 -5.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1680 0.9714 -0.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4886 0.2711 -2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2116 -1.9709 -2.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9974 -3.1612 -1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1024 -3.0129 -3.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9849 -0.4898 0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8652 1.4807 1.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0957 1.9534 4.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2121 -0.0254 2.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5380 -3.5444 -1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9592 -1.8263 -1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4384 -2.7214 -2.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5770 -0.6591 -4.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7912 -0.0882 -2.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2843 -1.0464 -4.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5530 0.6144 5.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0505 -1.0350 5.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6298 1.0446 -0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0551 3.2584 4.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5398 3.0537 3.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3706 -1.6626 -0.2864 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 1 |
| 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 1 |
| 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 |
| $$$$ |
|
|
