| 6d08_ligand |
| RDKit 3D |
|
|
| 146146 0 0 0 0 0 0 0 0999 V2000 |
| -7.5029 4.5488 1.0151 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -8.7793 3.7855 0.7648 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -8.4456 2.2796 0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4459 1.9289 1.4575 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.3693 4.2791 -0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.3043 1.3951 0.2231 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9419 -0.0254 0.0785 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -8.1577 -0.1190 -1.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7309 -0.2971 -2.3211 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.2215 -0.8827 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.8413 -1.1268 1.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -12.3690 -1.3223 1.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -12.8745 -2.5350 0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -12.5844 -3.7896 1.3272 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -6.8147 0.1809 -1.1596 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9038 0.0254 -2.2922 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.5247 -0.5055 -1.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4097 -1.6236 -1.3072 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8991 1.2052 -3.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3645 2.5791 -2.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5641 3.1690 -1.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9249 2.5213 -0.8613 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6898 4.5273 -1.5067 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4538 0.3356 -1.9462 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0831 -0.0861 -1.6501 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.8391 -0.0320 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8867 1.0233 0.5034 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0705 0.8749 -2.3135 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.4532 2.2409 -2.0768 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9942 0.6695 -3.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5630 -1.2471 0.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3674 -1.3958 1.9002 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.1230 -1.6252 2.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4566 -2.2628 3.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2521 -2.5153 2.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0339 -0.9636 1.4761 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3975 -0.6018 1.8901 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 3.0163 0.2176 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3020 0.6220 -0.2123 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2637 -1.7811 2.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7795 -2.6889 1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9550 -3.9279 0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2980 -5.0578 1.8378 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3997 -5.8273 1.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3440 -5.5918 0.7903 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 4.5499 -6.8960 2.4879 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3662 0.5140 0.7777 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0543 1.2374 -0.3075 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.7323 0.3065 -1.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0010 0.6964 -2.4882 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1601 2.1509 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5604 3.2728 -0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0342 3.6831 -0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.9735 2.5962 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.3662 3.1432 -1.2272 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 11.4447 2.1008 -1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.7481 1.6543 0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.4074 2.5078 1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.6296 2.1160 2.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.2054 0.8621 2.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.5612 -0.0010 1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.3339 0.3917 0.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2484 -0.8767 -0.8727 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9422 -1.8613 -1.7633 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.8350 -3.3172 -1.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7169 -4.1453 -1.5641 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 8.4269 -1.5176 -1.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6197 -0.1474 -2.3476 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8311 -3.5252 -0.4919 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9857 4.0663 1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6388 5.5337 1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8659 4.4976 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.4452 4.0158 1.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.3392 3.8064 -0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7149 4.0563 -1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.5303 5.3637 -0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.9488 1.7332 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2962 -0.3528 0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.0055 -1.8537 -0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.9541 -0.3907 -0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.6266 -0.2821 2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.3712 -2.0100 1.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -12.8213 -0.4213 0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -12.7336 -1.3836 2.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -13.9607 -2.5030 0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -12.4179 -2.6236 -0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -12.9901 -3.7710 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -13.0180 -4.5938 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.5790 -3.9916 1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3956 0.3495 -0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2892 -0.8258 -2.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9196 1.3040 -3.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5844 0.9328 -4.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3287 3.2708 -3.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4106 2.5242 -2.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9146 4.8960 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8406 5.0738 -2.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6253 1.3294 -1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9357 -1.1106 -2.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0673 0.7315 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3975 2.3724 -1.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9636 0.8471 -4.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2877 1.3817 -4.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6622 -0.3434 -4.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6495 -2.0924 -0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6628 -0.4597 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3005 -2.3267 2.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9803 -3.4819 2.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1652 -2.5988 3.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6371 -0.3470 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2742 0.1010 2.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1382 -1.3487 2.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7682 -2.3771 3.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7878 -2.9905 1.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8752 -2.1300 0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8821 -3.7293 1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1059 -4.2542 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6023 -5.3753 2.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1830 -6.1457 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3767 -4.7208 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3699 -7.4802 2.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8601 -7.1025 3.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9419 0.0967 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3073 1.8334 -0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0261 1.5412 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8056 2.6236 1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9423 4.1514 -0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3308 3.0072 -1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2974 3.9502 0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1657 4.5890 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7127 2.2950 -2.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.9795 1.7388 -0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.5268 3.7769 -0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.4611 3.7004 -2.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.3333 2.5685 -1.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.1415 1.2786 -1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.7740 3.4839 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.1464 2.7778 3.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.3864 0.5525 3.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.2497 -0.9871 2.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.8363 -0.3090 -0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8335 -1.3122 -0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4404 -1.8139 -2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.9737 -1.6480 -0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8977 -2.1522 -2.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7743 0.0968 -2.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 2 5 1 0 |
| 3 4 2 0 |
| 3 6 1 0 |
| 6 7 1 0 |
| 7 8 1 0 |
| 7 10 1 0 |
| 8 9 2 0 |
| 8 15 1 0 |
| 10 11 1 0 |
| 11 12 1 0 |
| 12 13 1 0 |
| 13 14 1 0 |
| 15 16 1 0 |
| 16 17 1 0 |
| 16 19 1 0 |
| 17 18 2 0 |
| 17 24 1 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 21 22 2 0 |
| 21 23 1 0 |
| 24 25 1 0 |
| 25 26 1 0 |
| 25 28 1 0 |
| 26 27 2 0 |
| 26 31 1 0 |
| 28 29 1 0 |
| 28 30 1 0 |
| 31 32 1 0 |
| 32 33 1 0 |
| 32 35 1 0 |
| 33 34 2 0 |
| 33 36 1 0 |
| 36 37 1 0 |
| 37 38 1 0 |
| 37 40 1 0 |
| 38 39 2 0 |
| 38 47 1 0 |
| 40 41 1 0 |
| 41 42 1 0 |
| 42 43 1 0 |
| 43 44 1 0 |
| 44 45 2 0 |
| 44 46 1 0 |
| 47 48 1 0 |
| 48 49 1 0 |
| 48 51 1 0 |
| 49 50 2 0 |
| 49 63 1 0 |
| 51 52 1 0 |
| 52 53 1 0 |
| 53 54 1 0 |
| 54 55 1 0 |
| 55 56 1 0 |
| 56 57 1 0 |
| 57 58 2 0 |
| 57 62 1 0 |
| 58 59 1 0 |
| 59 60 2 0 |
| 60 61 1 0 |
| 61 62 2 0 |
| 63 64 1 0 |
| 64 65 1 0 |
| 64 67 1 0 |
| 65 66 1 0 |
| 65 69 2 0 |
| 67 68 1 0 |
| 1 70 1 0 |
| 1 71 1 0 |
| 1 72 1 0 |
| 2 73 1 1 |
| 5 74 1 0 |
| 5 75 1 0 |
| 5 76 1 0 |
| 6 77 1 0 |
| 7 78 1 1 |
| 10 79 1 0 |
| 10 80 1 0 |
| 11 81 1 0 |
| 11 82 1 0 |
| 12 83 1 0 |
| 12 84 1 0 |
| 13 85 1 0 |
| 13 86 1 0 |
| 14 87 1 0 |
| 14 88 1 0 |
| 14 89 1 0 |
| 15 90 1 0 |
| 16 91 1 6 |
| 19 92 1 0 |
| 19 93 1 0 |
| 20 94 1 0 |
| 20 95 1 0 |
| 23 96 1 0 |
| 23 97 1 0 |
| 24 98 1 0 |
| 25 99 1 6 |
| 28100 1 1 |
| 29101 1 0 |
| 30102 1 0 |
| 30103 1 0 |
| 30104 1 0 |
| 31105 1 0 |
| 32106 1 1 |
| 35107 1 0 |
| 35108 1 0 |
| 35109 1 0 |
| 36110 1 0 |
| 37111 1 1 |
| 40112 1 0 |
| 40113 1 0 |
| 41114 1 0 |
| 41115 1 0 |
| 42116 1 0 |
| 42117 1 0 |
| 43118 1 0 |
| 45119 1 0 |
| 45120 1 0 |
| 46121 1 0 |
| 46122 1 0 |
| 47123 1 0 |
| 48124 1 6 |
| 51125 1 0 |
| 51126 1 0 |
| 52127 1 0 |
| 52128 1 0 |
| 53129 1 0 |
| 53130 1 0 |
| 54131 1 0 |
| 54132 1 0 |
| 55133 1 0 |
| 55134 1 0 |
| 56135 1 0 |
| 56136 1 0 |
| 58137 1 0 |
| 59138 1 0 |
| 60139 1 0 |
| 61140 1 0 |
| 62141 1 0 |
| 63142 1 0 |
| 64143 1 6 |
| 67144 1 0 |
| 67145 1 0 |
| 68146 1 0 |
| M CHG 5 1 1 14 1 45 1 55 1 66 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
