| 6d3x_ligand | |
| RDKit 3D | |
| 219226 0 0 0 0 0 0 0 0999 V2000 | |
| 7.1263 3.0163 -0.5096 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8367 3.3991 0.6616 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.1349 4.4189 1.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5834 4.8505 2.5421 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9258 4.8393 0.9706 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7292 4.9128 1.7992 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.5558 4.6326 0.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5582 5.0209 -0.3236 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5626 6.2889 2.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3982 6.1850 3.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4834 6.9508 4.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8167 6.4002 4.4867 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9473 6.7591 5.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9837 7.7576 5.9832 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 9.0810 6.1073 4.8163 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5181 3.9202 1.3865 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3728 3.5174 0.5805 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.1234 4.2335 1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2662 4.1407 2.2827 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1973 1.9920 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2656 1.0812 2.0466 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4728 5.1024 0.2141 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9171 5.3332 0.3028 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.5214 4.3083 -0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8228 3.4169 -1.1535 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3062 6.8066 0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4732 7.3005 -1.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4314 7.2201 -2.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -4.5944 3.3717 -1.6630 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| -3.3596 3.7688 -3.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -3.7273 5.3563 -5.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -5.2856 2.6898 0.6196 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4889 1.6948 1.6670 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -6.8585 1.0290 1.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.8293 1.6639 1.0288 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4415 2.2854 3.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3273 1.2355 4.0314 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8694 -0.3176 1.7382 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9390 -1.2831 1.4746 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -7.3949 -2.7356 1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1620 -3.6930 1.4269 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.9198 -0.8869 0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.0296 -1.9032 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.9713 -2.1730 1.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.5541 -3.5814 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.5631 -4.5491 1.7095 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -6.1809 -2.9397 0.5906 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7003 -4.3021 0.2374 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -5.1080 -4.9951 1.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5598 -4.7219 2.6308 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7691 -4.0236 -0.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1288 -2.6969 -0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2686 -1.9290 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2389 -6.0719 1.3841 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8118 -6.7788 2.6142 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.3680 -6.4347 3.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9434 -6.7582 4.1675 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9178 -8.2556 2.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -4.1664 -6.9774 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5528 -5.9107 2.0859 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1237 -5.6479 2.2958 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.2802 -4.5904 1.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4262 -4.3608 0.2568 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6838 -6.9721 2.2088 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.0545 -6.9531 2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8645 -7.4486 0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9900 -6.6059 4.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4629 -3.9358 1.4792 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0901 -3.0542 0.4806 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.4363 -3.7153 0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8794 -4.6931 0.6911 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3109 -1.6332 1.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7108 -0.8238 1.4694 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1038 -3.1179 -0.9541 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5448 -3.4088 -1.1708 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.3169 -2.6594 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7338 -1.8862 0.7158 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9814 -2.8882 -2.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8972 -3.9054 -3.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8200 -4.7832 -3.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9109 -3.9135 -4.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7504 -5.6559 -4.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8490 -4.7936 -5.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7671 -5.6615 -5.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6756 -2.8571 0.0373 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.4679 -2.0503 0.9688 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 8.4858 -0.5606 0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.7210 0.3384 1.3512 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.8635 -2.6718 0.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.9136 -3.4491 -0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.4793 -3.9259 -0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2877 -0.3351 -0.7987 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3358 1.0000 -1.3820 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.0574 1.7265 -0.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9375 1.1955 -0.9801 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2995 0.9649 -2.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.5003 0.1762 -3.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.3792 0.8527 -3.9697 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 9.4564 -1.0558 -3.0954 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3043 3.7584 -0.6466 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3576 2.6242 1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7404 4.5053 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7851 4.0913 2.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6768 6.8005 2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4113 6.9390 2.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3888 5.1444 4.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4214 6.6079 4.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2816 6.8773 5.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4781 8.0045 4.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9450 5.6882 3.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1426 8.2785 6.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.8199 7.9873 6.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.9594 6.3330 5.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.0450 5.3372 4.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4958 3.6684 2.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5355 3.8711 -0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0070 1.5997 -0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2462 1.7725 -0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 29136 1 0 | |
| 30137 1 0 | |
| 31138 1 0 | |
| 33139 1 0 | |
| 34140 1 0 | |
| 35141 1 6 | |
| 38142 1 0 | |
| 38143 1 0 | |
| 39144 1 0 | |
| 39145 1 0 | |
| 40146 1 0 | |
| 40147 1 0 | |
| 41148 1 0 | |
| 41149 1 0 | |
| 42150 1 0 | |
| 42151 1 0 | |
| 42152 1 0 | |
| 43153 1 0 | |
| 44154 1 1 | |
| 47155 1 0 | |
| 47156 1 0 | |
| 48157 1 0 | |
| 49158 1 0 | |
| 50159 1 1 | |
| 53160 1 0 | |
| 53161 1 0 | |
| 54162 1 0 | |
| 54163 1 0 | |
| 55164 1 0 | |
| 55165 1 0 | |
| 56166 1 0 | |
| 56167 1 0 | |
| 57168 1 0 | |
| 57169 1 0 | |
| 57170 1 0 | |
| 59171 1 6 | |
| 62172 1 0 | |
| 62173 1 0 | |
| 63174 1 0 | |
| 63175 1 0 | |
| 64176 1 0 | |
| 64177 1 0 | |
| 66178 1 1 | |
| 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 6 | |
| 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 6 | |
| 108218 1 0 | |
| 108219 1 0 | |
| M CHG 4 14 1 42 1 57 1 110 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |