6cjs_ligand RDKit 3D 66 69 0 0 0 0 0 0 0 0999 V2000 -3.5012 -2.4052 -1.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0474 -3.8170 -0.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8304 -3.8690 0.4158 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1854 -3.1823 1.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1466 -1.6692 1.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3048 -1.4061 -0.2660 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.1533 0.0320 -0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7751 0.6117 -0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 1.2912 0.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1297 1.7570 0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7982 0.4534 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4966 0.9202 -1.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1503 1.5584 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2105 1.9970 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7493 3.2741 0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0662 4.5598 0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4259 5.3955 1.4909 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0154 4.7738 -0.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6969 6.0505 -0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0321 7.0540 -1.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0808 3.1913 0.6436 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 1.8798 0.3983 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3061 1.1568 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5349 -0.2627 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 -0.6704 -1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6798 -2.0327 -1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6349 -2.3491 -2.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0392 -3.2871 -3.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9908 -2.8457 -2.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0352 -2.9802 -0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1989 -4.3283 -0.7132 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 -2.5954 0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -1.2459 0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0776 -0.9021 1.6964 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5881 -2.1565 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -2.3194 -0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7036 -4.1313 -1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 -4.5438 -0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -3.5823 1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7382 -3.3837 2.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2022 -1.2435 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9843 -1.1629 1.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2855 -1.6577 -0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 0.0909 -1.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8924 0.6033 -0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 1.4593 1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8805 2.2543 1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0282 -0.0406 -2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2482 0.7702 -2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1499 4.1436 -0.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7023 5.8693 -0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 6.4384 0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1247 6.6823 -2.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5127 8.0026 -1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 7.2483 -0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9165 0.0970 -1.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -1.4098 -3.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0627 -2.9250 -3.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 -4.3087 -3.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6965 -3.3402 -4.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9238 -3.8118 -1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4293 -2.1325 -1.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6914 -2.9610 -2.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0435 -4.5066 -1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -3.3625 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -1.5334 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 6 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 10 13 2 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 14 23 2 0 15 16 1 0 15 21 2 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 33 1 0 25 26 1 0 26 27 1 0 26 30 2 0 27 28 1 0 27 29 1 0 30 31 1 0 30 32 1 0 32 33 2 0 33 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 7 45 1 0 9 46 1 0 10 47 1 0 11 48 1 0 12 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 20 55 1 0 25 56 1 0 27 57 1 0 28 58 1 0 28 59 1 0 28 60 1 0 29 61 1 0 29 62 1 0 29 63 1 0 31 64 1 0 32 65 1 0 34 66 1 0 M CHG 1 6 1 M END > <_TriposChargeType> (1) GAST_HUCK $$$$