| 6d40_ligand | |
| RDKit 3D | |
| 216223 0 0 0 0 0 0 0 0999 V2000 | |
| 6.4637 2.6372 -2.2952 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1773 3.9637 -1.8822 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.7595 4.2523 -0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5338 4.7279 0.3358 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4425 3.9424 -0.1957 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0347 3.7465 1.1949 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.6073 3.1619 1.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8078 3.4386 2.1373 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0744 5.0773 1.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3379 4.8793 3.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3144 5.9351 3.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5344 5.7948 5.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5257 6.4001 6.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4377 7.1640 5.4991 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 6.5994 6.2439 7.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2723 2.3053 0.2128 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9270 1.7077 0.0502 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| -1.1477 2.4715 -1.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4452 0.8392 1.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1699 -0.8457 1.4307 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 4.1230 -4.1404 -0.3394 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 6.5492 -5.7858 -2.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 6.5204 -6.0160 -4.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.5530 -5.3529 -3.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8624 -5.6489 -4.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1820 -3.3102 1.0513 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9976 -2.1075 1.2475 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.5783 -0.6702 0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2782 0.1694 1.6965 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 6.3430 1.5555 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2629 1.1848 -0.9631 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 4.0119 3.3477 -0.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7204 3.0077 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8358 5.7494 1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1316 5.6290 1.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3903 4.9463 4.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7543 3.8874 3.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2719 5.8191 3.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 40145 1 0 | |
| 40146 1 0 | |
| 41147 1 0 | |
| 41148 1 0 | |
| 42149 1 0 | |
| 42150 1 0 | |
| 42151 1 0 | |
| 43152 1 0 | |
| 44153 1 1 | |
| 47154 1 0 | |
| 47155 1 0 | |
| 48156 1 0 | |
| 49157 1 0 | |
| 50158 1 1 | |
| 53159 1 6 | |
| 54160 1 0 | |
| 54161 1 0 | |
| 55162 1 0 | |
| 55163 1 0 | |
| 55164 1 0 | |
| 56165 1 0 | |
| 56166 1 0 | |
| 56167 1 0 | |
| 58168 1 1 | |
| 61169 1 0 | |
| 61170 1 0 | |
| 62171 1 0 | |
| 62172 1 0 | |
| 63173 1 0 | |
| 63174 1 0 | |
| 65175 1 6 | |
| 68176 1 0 | |
| 68177 1 0 | |
| 69178 1 0 | |
| 69179 1 0 | |
| 70180 1 0 | |
| 70181 1 0 | |
| 71182 1 0 | |
| 72183 1 1 | |
| 75184 1 1 | |
| 76185 1 0 | |
| 76186 1 0 | |
| 77187 1 0 | |
| 77188 1 0 | |
| 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 | |
| $$$$ | |