| 6d3x_ligand |
| RDKit 3D |
|
|
| 219226 0 0 0 0 0 0 0 0999 V2000 |
| 7.3677 2.6573 -1.3566 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8111 3.7519 -2.0439 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.4152 4.1560 -1.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6395 4.1733 -2.7824 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1026 4.5544 -0.5315 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9240 5.3998 -0.3203 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.6292 4.6363 -0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6904 5.1047 -1.3348 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0727 6.8109 -0.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6705 7.8406 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0730 7.5398 0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0951 7.7488 -0.4348 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2209 7.0321 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5824 6.0218 0.1323 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 9.0047 7.3230 -1.6601 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5783 3.3719 -0.1448 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5239 2.3763 -0.4091 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.2595 2.7043 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4091 1.8292 0.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1142 0.9770 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9870 -0.4574 -0.1909 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1526 4.0138 0.4687 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3118 4.3812 1.2745 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.6298 4.3808 0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7321 4.7385 -0.6922 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0688 5.6561 2.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3250 6.9941 1.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3257 7.8276 1.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4599 7.4850 0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4833 9.1198 1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6289 8.7724 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6382 9.5862 0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8229 10.8515 -0.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7096 3.9705 1.2371 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0463 3.6792 0.6720 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.1536 2.2969 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1649 1.9274 -0.6207 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6343 4.7936 -0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6865 6.1469 0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0672 7.3041 -0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9602 7.6431 -1.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3809 8.7849 -2.2425 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -4.0829 1.4676 0.1708 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1276 0.0399 -0.1757 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.9284 -0.6571 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9604 -0.1940 2.0785 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7334 -0.5322 -0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0927 -0.4429 1.0103 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6107 -1.8074 0.5599 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2602 -2.6738 1.5479 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.1849 -3.6439 0.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0443 -3.2203 -0.0292 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1099 -2.0087 2.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4326 -1.2970 2.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3530 -0.0723 1.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.2963 -0.1163 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7470 -0.9549 -0.9518 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -7.0697 -4.9814 1.1516 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5678 -5.8938 0.1195 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.4116 -5.4106 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2841 -4.2411 -1.1284 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7946 -6.3489 -0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9815 -6.0746 0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3402 -5.5659 1.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5411 -6.4419 -1.1505 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1192 -6.1420 -1.3905 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.3637 -5.1043 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7145 -3.9369 -0.4266 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0654 -5.8747 -2.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9287 -7.0286 -3.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0181 -7.1809 -2.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2416 -5.6174 0.1012 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3096 -4.6977 0.7231 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.9528 -4.6914 -0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3921 -5.7136 -0.7039 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0576 -5.0721 2.1769 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.4946 -6.5236 2.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1248 -4.6976 3.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8949 -6.8467 3.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5194 -3.4771 -0.3589 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7602 -3.2152 -1.0805 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 3.7921 -2.8517 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9942 -1.6894 0.3572 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6624 -2.0944 -2.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1772 -1.0163 -2.1729 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4248 -3.9421 0.5498 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3844 -3.7823 1.6335 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.7382 -3.0640 1.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4253 -2.7215 2.3176 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6319 -5.1223 2.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2869 -6.1898 1.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6704 -6.1979 1.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5111 -7.1962 0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2848 -7.1883 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1069 -8.1987 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5205 -8.1893 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2461 -2.9133 0.0728 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5614 -2.2777 -0.1636 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 8.3961 -0.7539 -0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0099 -0.1351 -1.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1091 -3.0021 -1.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8620 -3.1891 -2.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7858 -3.5074 -1.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5717 -0.1586 0.5687 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4173 1.2901 0.6733 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.6209 1.8078 -0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4710 1.4436 -0.7379 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7147 2.0347 0.9994 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3092 3.2735 1.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6790 3.2613 3.0075 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 7.5718 4.1435 1.2106 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0191 2.5260 -2.7302 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5155 4.5823 -2.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8655 4.5388 0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8481 5.5073 0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0979 7.2025 -1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6698 6.7827 -1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6996 8.8150 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9522 7.9522 0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2937 8.2624 1.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1178 6.5287 1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9546 8.5524 -1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0168 5.5232 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.4461 5.5224 0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.9128 8.1290 -2.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.5578 6.5883 -2.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4450 3.0623 0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2860 2.4011 -1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0125 0.7808 -0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4379 0.9991 1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1189 4.5864 -0.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4207 3.5887 2.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0518 5.6578 2.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7063 5.6049 2.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9657 7.4926 2.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3423 6.8632 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2296 9.7851 1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0207 9.1283 -0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9969 11.1455 -0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5211 3.5533 2.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6711 3.5744 1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0788 4.8415 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6517 4.5158 -0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7308 6.3957 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4050 6.0655 1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9880 7.0335 -0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3291 8.1882 0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7357 6.8228 -2.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0369 7.9648 -0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3324 8.6546 -2.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7716 8.9107 -3.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3577 9.6783 -1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4527 1.6496 0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6411 -0.0740 -1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7446 -1.5721 -0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1496 0.0363 -0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1379 -0.2266 0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1119 -2.3563 -0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4478 -3.2448 2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4419 -2.8059 3.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5321 -1.3352 3.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.8809 -0.9593 3.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1501 -2.0297 1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3335 0.1235 0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6299 0.8159 1.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.4165 0.8851 -0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.2804 -0.5219 0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.4540 -1.1087 -1.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4640 -1.9001 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9031 -0.5476 -1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1911 -6.7412 0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7430 -7.4258 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9261 -5.7982 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.6132 -5.2952 -0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.6193 -6.9551 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9659 -4.8428 2.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 64176 1 0 |
| 64177 1 0 |
| 66178 1 6 |
| 69179 1 0 |
| 69180 1 0 |
| 70181 1 0 |
| 70182 1 0 |
| 71183 1 0 |
| 71184 1 0 |
| 72185 1 0 |
| 73186 1 1 |
| 76187 1 1 |
| 77188 1 0 |
| 77189 1 0 |
| 78190 1 0 |
| 78191 1 0 |
| 78192 1 0 |
| 79193 1 0 |
| 79194 1 0 |
| 79195 1 0 |
| 80196 1 0 |
| 81197 1 6 |
| 84198 1 0 |
| 84199 1 0 |
| 86200 1 0 |
| 87201 1 1 |
| 90202 1 0 |
| 90203 1 0 |
| 92204 1 0 |
| 93205 1 0 |
| 94206 1 0 |
| 95207 1 0 |
| 96208 1 0 |
| 98209 1 1 |
| 101210 1 0 |
| 101211 1 0 |
| 102212 1 0 |
| 102213 1 0 |
| 103214 1 0 |
| 103215 1 0 |
| 104216 1 0 |
| 105217 1 1 |
| 108218 1 0 |
| 108219 1 0 |
| M CHG 4 14 1 42 1 57 1 110 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
