| 6d08_ligand | |
| RDKit 3D | |
| 146146 0 0 0 0 0 0 0 0999 V2000 | |
| -9.7352 6.5904 -0.5796 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -9.8164 5.1567 -1.0268 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -9.1715 4.2553 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.7260 4.7607 1.0817 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.1075 5.0362 -2.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.1394 2.9040 -0.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.4466 1.9732 0.7149 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -8.0579 0.7140 -0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.9159 0.0029 -0.6059 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.2852 1.5760 1.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.7416 1.1626 1.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.4203 0.5060 2.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.0367 -0.9546 3.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.6853 -1.8327 2.1065 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -6.7074 0.4859 -0.2315 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2167 -0.6390 -1.0389 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| -5.9144 -1.4503 -3.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9802 -1.0202 -4.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -3.8275 -0.0511 -0.6834 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -1.3399 1.5589 0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7920 -1.5150 1.0097 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2293 -2.6189 1.7972 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.2953 -2.7834 1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8605 -3.8719 1.4221 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9801 -3.9291 1.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0006 -1.5947 1.6126 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3607 -1.5237 1.1006 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.1163 -0.3132 1.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5650 0.7546 1.9522 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3364 -1.3767 -0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4328 -2.1657 -1.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0788 -3.6151 -1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9416 -4.4021 -0.2085 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8957 -5.1888 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1677 -5.1422 -0.0679 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 3.5495 -6.0698 1.2526 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4736 -0.5356 1.8724 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4431 0.5672 1.7643 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.9322 0.6010 0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1280 1.6478 -0.3138 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6490 0.3245 2.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8341 1.2476 2.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.0989 0.8968 3.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.3719 1.4140 2.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.2954 2.8946 2.3099 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 11.5091 3.5269 1.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.6435 3.2550 0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.8224 3.9259 -0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.9220 3.6525 -2.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.8399 2.7118 -2.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.6590 2.0392 -1.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.5642 2.3085 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2996 -0.6341 -0.1669 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9527 -0.9317 -1.4505 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.7347 -2.4152 -1.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5825 -3.2044 -0.8412 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 8.4634 -0.7290 -1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 6.6316 -2.6906 -3.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.2057 7.2482 -1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.7530 6.8825 -0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.1432 6.6900 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.8796 4.9164 -1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.5056 5.7508 -3.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -9.5454 2.5003 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5312 2.4670 1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.3111 2.4247 2.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.7651 0.7636 2.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.3081 2.0660 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.8128 0.4992 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.5081 0.5765 2.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.1784 1.0866 3.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.3926 -1.2967 4.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.9613 -1.1272 3.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.4578 -2.8221 2.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.3946 -1.6297 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.7086 -1.7596 2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0381 1.0125 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8756 -1.4952 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2622 0.0924 -2.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5839 0.5591 -2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9008 -1.8126 -3.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6214 -2.2736 -3.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2176 -2.8548 -5.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.6351 -1.7394 -6.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1537 0.7903 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6255 -0.8519 -2.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -3.0525 -3.7962 1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4712 -0.7290 1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8741 -2.4389 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 1.3697 -1.6840 -0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3319 -2.1362 -0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6499 -1.6766 -2.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 2.1253 -3.6801 -1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0208 -4.4354 0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5637 -4.3593 -0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8815 -5.7650 0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5870 -6.1452 1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2434 -6.7023 1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8054 -1.4328 1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9497 1.5191 1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3321 0.4507 3.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9798 -0.7188 2.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5418 2.2872 2.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.0903 1.1832 1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.0228 1.3026 4.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1926 -0.1907 3.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.2499 1.2094 3.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.5022 0.9561 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.5069 3.1108 1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.0956 3.3476 3.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.3810 3.1857 2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 13.2177 1.7701 0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3865 -1.4236 0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 8.6909 0.3412 -1.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.8529 -2.2254 -0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 2 3 1 0 | |
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| 3 4 2 0 | |
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| 2 73 1 6 | |
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| 67144 1 0 | |
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| 68146 1 0 | |
| M CHG 5 1 1 14 1 45 1 55 1 66 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |