| 6d40_ligand | |
| RDKit 3D | |
| 216223 0 0 0 0 0 0 0 0999 V2000 | |
| 7.7266 2.6123 -1.7205 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7701 4.0271 -1.9311 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.8913 4.9933 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3523 6.0267 -0.7234 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5452 4.6795 -1.1229 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6784 5.2751 -0.1117 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.6481 4.2795 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2975 4.3606 1.6539 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9090 6.4866 -0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7766 7.6716 -1.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5081 8.3484 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6940 9.0848 -0.4301 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2561 10.1447 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7960 10.6431 1.3117 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 8.3033 10.7406 -0.4215 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9996 3.4685 -0.4383 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8562 2.6276 -0.0628 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.6839 3.5575 0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6617 4.7656 0.1276 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1829 1.5458 0.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2959 0.2208 0.3794 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3737 2.9374 1.0142 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5142 3.6721 1.5873 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| -7.2253 -5.1709 -0.9252 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| -4.5197 -7.0615 0.9663 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| 3.1888 -3.5281 1.9366 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 2.1648 -0.7615 -1.0296 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3813 -3.5227 -0.0219 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7279 -3.6089 0.5811 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| 5.9656 -4.9237 1.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7715 -6.2619 0.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5935 -6.4178 -0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8030 -7.4191 1.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4413 -7.6882 -1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6536 -8.6879 0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4701 -8.8215 -0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1027 -3.1284 -0.0762 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.9247 -2.1217 -0.7822 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 8.2728 -0.7574 -1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 7.3388 1.1424 0.2405 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.7874 1.9757 -0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5659 2.0617 -1.1427 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3700 1.8257 1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7189 2.0257 0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4843 1.0272 0.5129 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 9.8960 3.1884 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 8.7722 4.3751 -2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3292 3.7302 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3088 5.5672 0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1792 6.8388 0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 4.8135 9.0395 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1887 8.6582 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2036 11.4665 1.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0775 10.1492 1.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 38142 1 0 | |
| 39143 1 0 | |
| 39144 1 0 | |
| 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 6 | |
| 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 6 | |
| 61169 1 0 | |
| 61170 1 0 | |
| 62171 1 0 | |
| 62172 1 0 | |
| 63173 1 0 | |
| 63174 1 0 | |
| 65175 1 1 | |
| 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 | |
| $$$$ | |