| 6d40_ligand |
| RDKit 3D |
|
|
| 216223 0 0 0 0 0 0 0 0999 V2000 |
| 6.6444 1.9892 2.6546 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4631 2.7493 2.6626 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 4.5526 2.8676 1.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9423 1.9034 1.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3409 4.1462 1.0445 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4063 4.4313 -0.0326 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.9937 3.9380 0.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2959 4.5921 1.1692 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9098 3.9803 -1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7851 5.0585 -2.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5807 4.5005 -3.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4566 5.4974 -3.9067 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5317 6.0935 -3.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9667 5.8915 -2.1435 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 8.2054 6.9968 -4.1038 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6065 2.6951 -0.0806 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4635 1.9577 0.5217 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.8338 2.8111 0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7345 2.7440 1.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7880 1.4131 1.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3585 0.1372 2.5834 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9508 3.6297 -0.6082 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0045 4.6131 -0.6718 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.2560 4.0148 -1.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3018 2.9622 -1.9626 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5813 5.9108 -1.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9182 7.1369 -0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8630 8.0734 -0.9909 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3085 7.3127 0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2221 9.1449 -0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6652 8.3862 1.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6132 9.2982 1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0152 10.3433 1.8567 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4236 4.6975 -1.0582 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9962 4.4328 0.2817 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.3013 3.6543 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4161 4.1110 0.2751 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2345 5.7546 1.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5902 5.5382 2.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7286 6.8293 3.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7475 7.8184 2.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0533 8.8749 1.9914 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -6.1009 2.4377 -0.6019 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0519 2.0322 -1.6534 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.2074 0.5067 -1.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3203 -0.1263 -2.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6207 2.5872 -3.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4988 4.0221 -2.9477 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3969 -0.0213 -0.4173 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5254 -1.4518 -0.1090 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.0622 -2.0094 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2154 -1.7674 -0.8772 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4685 -2.2536 -1.0609 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -9.8216 -1.5300 -1.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7491 -3.6534 -0.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.6704 -2.1509 -2.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7110 -2.7495 1.1128 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2822 -3.0284 1.4027 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.5247 -4.3155 0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4342 -4.5920 1.4628 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2411 -2.9940 2.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6077 -3.5511 3.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5134 -2.8632 2.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9278 -5.0566 -0.1581 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2082 -6.2779 -0.5837 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.7648 -6.1691 -1.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4421 -6.7336 -2.2052 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1264 -6.8956 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5112 -6.4882 -1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2887 -5.0871 -0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8251 -5.5696 -0.3359 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4191 -6.2737 0.0424 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.2976 -5.3054 0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7913 -5.6257 1.9615 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2130 -6.9645 -1.1054 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.4002 -7.8006 -0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6816 -5.9968 -2.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9777 -9.0213 0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6002 -4.1079 0.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2333 -2.9888 0.9975 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 3.6467 -3.2981 1.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0894 -2.7057 2.5635 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3381 -2.3548 2.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1024 -1.4801 1.3207 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4267 -4.1536 0.8166 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7268 -4.6196 1.3354 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 7.0348 -3.8254 1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0591 -4.1617 1.6559 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9858 -6.1071 0.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5046 -6.3777 -0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8636 -6.6865 -0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6777 -6.3402 -1.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3841 -6.9373 -1.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1920 -6.6006 -2.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5427 -6.8954 -2.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0946 -2.8914 0.0363 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3771 -2.2888 -0.3400 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 8.7680 -1.1413 0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1061 -1.3526 1.7955 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1682 -1.9186 -1.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6872 -1.5696 -1.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0347 -2.4780 -0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6513 0.1542 0.1581 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4599 1.2376 1.1271 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.9888 1.1540 1.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2063 0.2873 1.2163 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8494 2.5648 0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8013 2.9890 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4682 4.2140 -0.4745 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 7.3912 2.1209 -1.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7822 3.3698 2.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0066 2.8102 3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8289 4.9092 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3069 5.5186 -0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4725 3.0384 -1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0581 3.7774 -2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4492 5.5102 -1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1402 5.8709 -2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8751 4.1869 -4.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1892 3.6346 -2.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3077 5.6539 -4.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5558 5.1548 -1.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7270 6.3831 -1.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0215 7.4555 -3.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9308 7.2656 -5.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4083 2.0912 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2957 1.1198 -0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8162 2.2332 2.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7843 0.9591 1.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2370 3.5657 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2841 4.8366 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0730 5.9937 -2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4958 5.9278 -1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3470 7.9500 -1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5612 6.6018 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9557 9.8655 -0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1687 8.4984 2.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2768 10.5139 2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1066 4.4255 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3260 3.7861 0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0233 6.3227 0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3270 6.3649 0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5267 4.9773 2.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8236 4.9134 2.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7474 7.3012 3.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0478 6.5410 4.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4775 7.3450 2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2924 8.3266 3.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7253 9.4318 1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3518 8.5023 1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5567 9.5315 2.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| -5.6451 2.1836 -3.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| -7.4137 4.3587 -2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0569 0.5721 0.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9804 -1.4552 0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| -9.3159 -3.5992 0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| -6.7615 -1.8492 2.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 77187 1 0 |
| 77188 1 0 |
| 77189 1 0 |
| 78190 1 0 |
| 78191 1 0 |
| 78192 1 0 |
| 79193 1 0 |
| 80194 1 6 |
| 83195 1 0 |
| 83196 1 0 |
| 85197 1 0 |
| 86198 1 1 |
| 89199 1 0 |
| 89200 1 0 |
| 91201 1 0 |
| 92202 1 0 |
| 93203 1 0 |
| 94204 1 0 |
| 95205 1 0 |
| 97206 1 6 |
| 100207 1 0 |
| 100208 1 0 |
| 101209 1 0 |
| 101210 1 0 |
| 102211 1 0 |
| 102212 1 0 |
| 103213 1 0 |
| 104214 1 1 |
| 107215 1 0 |
| 107216 1 0 |
| M CHG 3 14 1 42 1 109 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
