| 6d08_ligand |
| RDKit 3D |
|
|
| 146146 0 0 0 0 0 0 0 0999 V2000 |
| -11.0110 -3.1548 2.4189 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -10.5861 -1.7138 2.4570 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -10.1890 -1.2675 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.4310 -2.0145 0.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.4522 -1.5801 3.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.6399 -0.0249 0.8858 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0309 0.4429 -0.3727 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.7442 1.1854 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4522 1.2327 1.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.0353 1.3136 -1.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.8517 1.2576 -2.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.1176 1.6605 -3.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.4726 3.1469 -3.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.6411 3.8889 -4.3942 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -7.0050 1.7778 -0.9227 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5945 2.2097 -0.7506 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.7163 0.9881 -1.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2049 0.0984 -1.8658 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2171 2.8770 0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0665 4.0946 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5399 4.7761 2.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5552 4.4090 2.7966 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2671 5.8604 2.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3781 1.0546 -0.8676 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4477 -0.0221 -1.2171 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.9830 -0.7218 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3644 -0.3574 1.1844 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2560 0.5043 -2.0502 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.4689 -0.5920 -2.5535 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3258 1.4537 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1360 -1.7875 -0.1263 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4826 -2.4841 0.9813 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.5908 -3.4069 0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4968 -4.6355 0.3151 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4670 -3.2952 1.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6132 -2.7203 -0.2790 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7722 -3.4160 -0.8163 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 4.0300 -2.8077 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3382 -3.0701 0.9866 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7662 -3.4000 -2.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7835 -4.3865 -3.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3339 -5.8114 -3.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4885 -6.5053 -1.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4795 -6.9633 -1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2084 -6.9129 -1.5034 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 1.7534 -7.5115 0.0833 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7000 -1.8765 -0.9312 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7770 -1.0633 -0.3545 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.1520 0.2965 0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2505 0.8086 -0.5956 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8856 -0.8611 -1.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8895 0.1897 -0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1790 0.3742 -1.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.4230 0.3338 -0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.4021 1.3908 0.2114 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 11.4044 1.3106 1.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.7721 1.8078 0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.2589 2.9873 1.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 14.5320 3.4755 1.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 15.3324 2.8037 0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 14.8642 1.6312 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.6022 1.1353 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7329 0.8757 1.1873 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0261 2.3380 1.2276 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 7.5513 2.5969 1.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3100 1.7177 1.6286 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 5.6967 2.9739 2.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2783 3.0987 2.7313 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9471 3.5083 0.3281 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.6228 -3.2993 1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.5235 -3.4569 3.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.2098 -3.7799 2.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.4678 -1.1445 2.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5375 -2.0525 3.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.2295 -0.5280 3.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.7082 -2.0533 4.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.2917 0.4734 1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7265 -0.4343 -0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.0526 0.9839 -0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.9634 2.3562 -0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0087 1.8785 -2.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.6099 0.2252 -2.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.9666 1.0931 -3.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.0004 1.3380 -4.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -12.5132 3.2906 -3.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.3174 3.6067 -2.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.6411 3.8808 -4.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.7511 3.5129 -5.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.9301 4.8775 -4.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1136 1.3145 -1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4514 2.9469 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2167 2.1460 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1765 3.2119 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1076 3.8023 1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0570 4.8127 0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8832 6.3640 1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8849 6.3603 3.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1284 1.5437 -0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9705 -0.7835 -1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6545 1.0369 -2.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1659 -0.1951 -3.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4206 1.8747 -1.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8714 2.2789 -0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2366 0.9269 -0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6656 -1.7931 -1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0162 -1.7417 1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9456 -3.8381 2.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0055 -4.0299 1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2212 -2.6564 2.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7355 -1.7439 -0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7666 -4.4529 -0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4940 -2.3910 -2.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7709 -3.6007 -2.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5674 -4.0241 -4.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8279 -4.3809 -2.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6974 -6.4195 -3.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3173 -5.7910 -3.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4277 -6.7356 -1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0555 -6.5162 -2.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5425 -7.1275 -0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6909 -7.5116 0.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0068 -7.8380 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1706 -1.3613 -1.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1893 -1.5650 0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4016 -1.8214 -1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4587 -0.5588 -2.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3772 1.1614 -0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1338 -0.0630 0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1641 1.3612 -2.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2609 -0.3808 -2.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.4836 -0.6416 -0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.3133 0.4849 -1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.4908 1.3957 0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.3656 2.3469 -0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.9932 1.9171 2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.4432 0.2771 1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.6623 3.5316 2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 14.9022 4.3850 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 16.3173 3.1777 0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 15.4900 1.1147 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.2926 0.1951 -0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4773 0.3648 1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4660 2.8284 0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1306 3.9736 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0755 2.3637 3.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1164 3.7775 3.4077 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 6 |
| 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 6 |
| 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 6 |
| 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 1 |
| 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 |
|
|
| $$$$ |
|
|
