| 6d3y_ligand |
| RDKit 3D |
|
|
| 214220 0 0 0 0 0 0 0 0999 V2000 |
| -6.4810 2.5586 -1.3595 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1402 2.3109 -1.0290 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.4229 3.5855 -0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7771 4.2066 -1.6177 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5750 3.9955 0.5387 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0647 5.2636 0.9941 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.5267 5.1245 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7475 5.9780 0.8219 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7592 5.6784 2.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1603 6.2828 2.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0251 6.2893 3.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8088 7.5280 3.4062 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0722 7.7307 3.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.7786 6.8388 2.3239 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -9.6613 8.8912 3.3632 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1490 3.8789 1.7044 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7389 3.4470 1.6186 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.3091 3.3652 0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1478 3.2578 -0.7629 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4911 2.1054 2.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8517 0.8280 2.3552 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0411 3.4535 -0.1663 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3888 3.4846 -1.6194 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.8742 3.1756 -1.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2201 2.4942 -2.8572 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0730 4.8659 -2.2916 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.1190 5.4873 -1.8238 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0373 4.8056 -3.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7882 3.9498 -1.1967 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8788 4.5306 -2.0030 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.9944 3.5993 -2.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5650 3.8592 -3.5817 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5429 5.7122 -1.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7128 7.0163 -1.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4001 7.5385 -2.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9604 9.0008 -2.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4587 9.3886 -4.0202 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 6.5367 2.6760 -1.6286 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8452 2.1027 -1.9666 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 8.2442 0.9004 -1.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.3590 0.7606 -0.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.9724 3.1531 -1.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.9744 3.8147 -0.6252 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2464 -0.0458 -0.9031 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4924 -1.3841 -0.3506 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.4400 -2.3898 -0.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3517 -1.9844 -1.3042 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4067 -1.4135 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5058 -0.7001 1.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.8870 -1.3321 1.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.9214 -0.3036 1.6084 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.7597 0.1297 2.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.6108 -0.1877 3.8403 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 12.7816 0.9283 2.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7614 -3.7254 -0.8023 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7561 -4.7913 -0.9527 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.0352 -5.0095 0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7821 -4.0965 1.2043 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5925 -6.0018 -1.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9421 -5.7411 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1150 -4.2567 -0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5754 -6.3308 0.6152 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1882 -6.4845 1.0677 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.0596 -5.6651 0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2516 -4.7560 -0.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2515 -6.4096 2.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6113 -7.0213 2.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3716 -7.0628 1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7948 -6.0804 0.7792 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3951 -5.5441 0.1262 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.9128 -4.1965 0.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5447 -3.7336 1.7846 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5085 -6.6190 0.0694 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.8662 -7.2979 1.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1064 -7.7160 -0.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4486 -6.3629 2.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8933 -3.6144 -0.0634 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5652 -2.3529 0.2594 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.8929 -2.3373 -0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4763 -1.3029 -0.9074 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6566 -1.1355 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3276 0.5123 0.3886 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4651 -3.5688 -0.7977 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6712 -3.7144 -1.6339 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.0808 -3.3379 -1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0384 -3.4354 -1.8638 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7347 -5.0845 -2.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9078 -6.3123 -1.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1386 -6.6015 -0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8598 -7.2292 -1.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3000 -7.7497 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0228 -8.3807 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2388 -8.6402 0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2803 -2.8416 0.1834 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6529 -2.4488 0.5697 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -9.1910 -1.1378 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.3775 -0.8480 0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5816 -2.2651 2.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3780 -3.0803 2.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4247 -2.9265 1.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2219 -0.2999 -0.5768 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4474 1.0144 -1.2563 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.4584 1.9803 -0.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4857 2.2295 0.6174 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.8368 1.6482 -1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.8059 3.0539 -1.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.5347 3.9526 -1.2123 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -8.9792 3.1718 -2.7111 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7108 1.8849 -2.2856 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0294 1.5429 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3512 3.5558 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2288 6.0184 0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8664 4.7958 2.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1589 6.4151 2.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0313 7.2977 1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6824 5.7224 1.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3799 6.2487 4.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6918 5.4286 3.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3936 8.2662 3.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.3865 5.9788 1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.7300 7.0230 2.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1371 9.6298 3.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.6405 9.0726 3.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8300 3.1701 1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1385 4.2407 2.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3447 2.3309 3.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4371 1.6308 1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6954 3.0293 0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8131 2.6807 -2.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8684 5.5852 -2.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8716 4.8728 -1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0064 4.5177 -4.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2876 4.0801 -4.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7556 5.7679 -4.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3723 4.5472 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4077 4.8848 -2.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7307 5.4277 -0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5162 5.9300 -1.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3029 7.7693 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7796 6.8783 -0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5946 6.9331 -3.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2809 7.4432 -3.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7973 9.6599 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1309 9.1882 -1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0274 9.0294 -4.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4014 10.4106 -4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5032 9.0344 -4.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4303 2.9213 -0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7953 1.7049 -2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8377 3.9418 -2.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.9612 2.7031 -2.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.9067 4.0021 -0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3336 0.1096 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4729 -1.6995 -0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3849 -2.4560 1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4288 -0.9982 1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2823 -0.7279 3.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5119 0.3627 1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.1468 -2.0041 2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.9286 -1.9341 0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.9809 0.1363 0.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.8627 -0.7885 4.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.2948 0.0736 4.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.9654 1.1744 1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.4039 1.2913 2.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0052 -4.5098 -1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1868 -6.9894 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7156 -5.9535 -2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8984 -5.9216 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7638 -6.3211 -1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3412 -4.0794 -2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8320 -3.8091 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9497 -7.5234 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4356 -6.9623 3.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1956 -5.3713 2.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1370 -6.4136 3.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5118 -8.0336 3.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3805 -6.6523 1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4513 -8.0943 1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6861 -6.4097 1.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 83195 1 0 |
| 84196 1 6 |
| 87197 1 0 |
| 87198 1 0 |
| 89199 1 0 |
| 90200 1 0 |
| 91201 1 0 |
| 92202 1 0 |
| 93203 1 0 |
| 95204 1 1 |
| 98205 1 0 |
| 98206 1 0 |
| 99207 1 0 |
| 99208 1 0 |
| 100209 1 0 |
| 100210 1 0 |
| 101211 1 0 |
| 102212 1 6 |
| 105213 1 0 |
| 105214 1 0 |
| M CHG 4 14 1 37 1 53 1 107 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
