| 6d3x_ligand | |
| RDKit 3D | |
| 219226 0 0 0 0 0 0 0 0999 V2000 | |
| 8.7668 4.0334 -1.8160 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5894 4.7021 -2.1657 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.2825 4.4126 -1.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2994 4.1749 -2.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2540 4.5649 -0.1328 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1726 3.9852 0.6680 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.7678 4.1898 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2607 5.2799 -0.2192 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1533 4.5524 2.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3885 6.0822 2.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6212 6.3986 3.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2739 6.3622 4.4694 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0086 5.8205 5.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2184 5.2842 5.2487 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 6.5203 5.8046 6.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1409 2.9917 -0.2393 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3965 2.8159 -1.4994 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.9257 2.5569 -1.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5506 1.6125 -0.4614 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9959 1.6653 -2.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8283 -0.0792 -1.7809 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0089 3.4994 -1.6022 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2995 3.4605 -0.9749 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| -1.2907 4.0011 0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2406 5.5100 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -2.2434 7.5791 1.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -6.2019 1.5400 1.0872 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| -7.3557 2.1540 1.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -6.4179 -0.7651 1.9394 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2334 -1.9951 2.1443 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -6.8031 -3.2501 1.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -9.3696 -1.8828 0.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -11.4575 -2.2963 -0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.8838 -1.5550 -1.7781 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -6.9372 -4.5137 1.9776 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2857 -5.6751 1.3706 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -4.7691 -5.6349 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1970 -4.5826 0.7563 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2877 -6.0782 0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6473 -5.7497 0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -4.0580 -6.8493 1.1462 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6788 -6.8952 0.6972 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| 0.1997 -4.9579 3.6107 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| 1.0896 -3.9550 4.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3681 -6.5788 5.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9885 -3.5444 1.1455 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8531 -2.6676 0.3165 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.2364 -3.4190 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3649 -4.6008 0.5509 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9671 -1.2480 0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1936 -0.0498 0.2508 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2767 -2.6763 -0.2321 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5640 -3.2462 -0.6438 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.7088 -2.3028 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6975 -2.0690 -0.8809 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5837 -3.3958 -2.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1470 -4.7226 -2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2901 -5.6580 -3.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5069 -5.0019 -2.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8174 -6.8757 -3.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.0232 -6.2233 -2.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1805 -7.1610 -3.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6278 -1.8452 1.1493 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4792 -0.7009 1.4620 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.6019 0.4146 0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5939 0.9378 -0.0981 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.7218 -1.3082 2.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.0840 -2.3664 2.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9189 -2.8977 2.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.8914 0.7964 0.0594 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.2052 1.6020 -1.1460 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 8.8504 3.1031 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.8031 3.5358 0.3557 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6126 0.9420 -2.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7515 0.8566 -3.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.7160 0.1206 -3.0427 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 9.5380 1.5104 -4.4649 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1287 3.6618 -3.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7298 5.7226 -2.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1751 4.5849 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3821 2.9200 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2035 4.3062 2.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9423 4.0334 2.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4949 6.5688 2.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5136 6.5200 1.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4211 5.6748 2.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9826 7.4037 2.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3762 6.7588 4.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.7913 4.9407 6.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6419 5.3041 4.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9990 5.3024 7.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6355 6.2335 6.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5696 2.1273 0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4833 3.7509 -2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 28135 1 0 | |
| 29136 1 0 | |
| 30137 1 0 | |
| 31138 1 0 | |
| 33139 1 0 | |
| 34140 1 0 | |
| 35141 1 1 | |
| 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 1 | |
| 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 6 | |
| 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 6 | |
| 108218 1 0 | |
| 108219 1 0 | |
| M CHG 4 14 1 42 1 57 1 110 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |