| 6d40_ligand |
| RDKit 3D |
|
|
| 216223 0 0 0 0 0 0 0 0999 V2000 |
| 6.5987 1.4336 -0.0559 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0050 1.9290 1.2110 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.9969 2.7032 1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8980 2.5889 3.1924 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1728 3.4912 1.2053 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0215 4.1981 1.7331 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.9895 4.3101 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1998 4.9535 -0.4291 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4242 5.5519 2.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1466 6.5071 1.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7154 7.7330 2.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8663 7.3921 2.9352 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8570 7.1992 4.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7351 7.2574 4.9829 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 8.0048 6.9463 4.8977 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8559 3.5496 0.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9154 3.3213 -0.3216 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.5091 3.3565 0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7653 2.9949 1.4132 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2277 2.0411 -1.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8356 0.4495 -0.2800 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4917 3.8648 -0.5716 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7959 4.1867 0.0078 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.8773 4.2987 -1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2205 5.3517 -1.6228 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8036 5.4075 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0700 6.6495 0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7638 7.7299 -0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6816 6.7666 0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0884 8.8990 -0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0025 7.9165 0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7102 8.9756 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0108 10.0958 -0.6104 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4259 3.0771 -1.4664 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7873 3.0661 -1.9907 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.7452 2.9803 -0.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3339 3.9758 -0.3833 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0224 1.9787 -3.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8482 2.5400 -4.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0038 3.4481 -5.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8317 4.4780 -5.8977 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2490 5.5627 -4.9713 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -6.8014 1.7569 -0.1569 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5082 1.5601 1.1131 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.3341 0.0901 1.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8631 -0.2250 2.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0132 1.8747 1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.6544 1.1974 -0.0362 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7776 -0.8144 0.5841 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9894 -2.2264 0.9280 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.2781 -3.2624 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6200 -4.4473 -0.0189 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.5090 -2.4757 1.1421 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -9.7811 -3.7076 2.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.2753 -2.5501 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.2087 -3.7375 2.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0791 -2.8557 -0.5692 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9957 -3.8410 -0.7313 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.9351 -3.5048 0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0878 -2.6276 0.1537 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4722 -3.6132 -2.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7817 -2.1494 -2.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1035 -1.9472 -1.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0194 -4.1303 1.5676 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2487 -3.6557 2.7277 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.7920 -4.1772 2.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2406 -4.5072 3.8191 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0585 -4.1674 3.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6270 -5.4820 3.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9915 -5.1374 1.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1124 -4.1105 1.5782 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2775 -4.5182 1.4491 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.9988 -3.5677 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6838 -3.4634 -0.7117 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4353 -5.9916 0.9820 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.5141 -6.3818 -0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2562 -6.9532 2.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0989 -7.6687 -0.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9849 -2.7967 1.0479 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0676 -2.2262 0.2335 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 4.2147 -3.2341 0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3507 -3.7777 1.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4965 -0.8152 0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1706 0.3107 1.2777 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0415 -3.5175 -0.5715 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0991 -4.5317 -0.4665 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 7.4736 -3.8677 -0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7512 -3.2267 -1.6859 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8640 -5.7195 -1.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5655 -5.3965 -2.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2443 -5.2036 -3.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6038 -5.3052 -3.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9636 -4.9430 -4.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3185 -5.0414 -5.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0022 -4.8685 -5.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3485 -3.9846 0.4193 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.5040 -3.0797 0.5118 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 9.2983 -1.5573 0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.3143 -0.7984 1.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.5686 -3.7552 -0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.2614 -5.2526 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.9116 -5.3136 0.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0420 -1.1146 -0.9255 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5539 0.2614 -1.1367 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 7.0943 0.2880 -0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3529 -0.7098 -0.6637 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6083 0.6007 -2.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3012 2.0835 -2.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1175 2.3728 -3.0369 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 9.2582 2.8444 -2.4149 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4599 2.5417 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7137 1.3252 1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3612 3.5272 0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6005 3.5909 2.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0802 5.3506 3.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5281 6.0488 2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4402 6.8556 0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9697 5.9974 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9540 8.2696 2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0905 8.4412 1.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7661 7.3716 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7485 7.1387 5.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8395 7.4230 4.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0336 6.7894 5.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8829 6.8836 4.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7944 2.8965 1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0028 4.1690 -1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2799 2.0207 -1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6261 2.0420 -2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1894 4.4502 -1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0949 3.3320 0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3657 5.1067 1.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8427 5.6758 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8415 7.6728 -0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1226 5.9630 1.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6466 9.7263 -0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0746 7.9878 0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6357 10.8359 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0892 2.2556 -0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9886 4.0479 -2.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5770 1.1328 -2.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0731 1.5849 -3.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2313 1.7043 -4.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7248 3.0675 -3.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2219 3.9657 -4.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4808 2.8124 -5.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2422 4.9555 -6.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7391 4.0510 -6.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4408 5.9955 -4.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7358 6.3161 -5.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8862 5.2397 -4.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0973 1.0601 -0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0240 2.1940 1.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.5057 1.5551 1.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1918 2.9449 0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.6102 1.3729 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3917 -0.4135 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4992 -2.3842 1.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.9007 -1.6032 1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0941 -3.6990 2.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.5964 -4.6370 1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.0697 -1.6780 -0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.0182 -3.4459 -0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.3550 -2.5663 -0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.4488 -2.8036 3.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.9355 -3.8832 1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.3270 -4.5601 3.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3415 -4.8723 -0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0378 -4.2379 -2.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4070 -3.8458 -2.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8481 -1.9182 -3.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0088 -1.5032 -1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9524 -2.2001 -2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2122 -0.9155 -1.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2016 -2.5581 2.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4838 -4.2964 4.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8843 -3.4758 4.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4856 -5.8326 3.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8575 -6.2621 3.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9865 -4.6870 1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9569 -6.0033 1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 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 1 |
| 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 |
|
|
| $$$$ |
|
|
