| 6d3y_ligand | |
| RDKit 3D | |
| 214220 0 0 0 0 0 0 0 0999 V2000 | |
| -7.1291 2.9169 0.2773 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5992 3.5715 -0.9153 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -6.7332 4.5662 -1.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1070 5.2019 -2.5632 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5410 4.7481 -0.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5614 5.7938 -1.2093 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.3436 5.4658 -0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5412 6.2882 0.1136 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1250 7.2123 -1.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9594 7.4591 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1988 8.3112 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2014 7.5823 -0.8519 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.1314 6.7482 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.2250 6.4783 0.9328 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -9.9842 6.1454 -1.1848 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1947 4.0871 -0.1606 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9503 3.5086 0.3647 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.9751 3.6330 -0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3088 3.3844 -1.9744 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1878 2.0508 0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6513 1.1109 1.0591 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2457 4.1520 -0.4891 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2226 4.5960 -1.4813 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.6153 4.4082 -0.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7813 3.7262 0.1856 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9687 6.0685 -1.8956 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.7428 6.8954 -0.7443 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1962 6.2330 -2.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6649 5.0513 -1.4438 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0472 4.9653 -0.9864 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.7305 3.8222 -1.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7528 3.8696 -2.9999 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3081 5.0448 0.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5348 6.1235 1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6409 7.5626 0.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0442 8.1388 0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9899 9.5952 0.6406 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 6.3125 2.8024 -1.0688 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9545 1.6741 -1.7684 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.2803 0.5812 -0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9098 0.6860 0.4449 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2343 2.1289 -2.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1372 2.7743 -1.5845 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.0347 -0.4709 -1.2018 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.4246 -1.6779 -0.4572 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.4644 -2.8395 -0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4696 -2.6224 -1.5141 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6308 -1.5021 1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.6821 -0.4558 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.0959 -0.7305 0.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.6402 -1.9825 1.4982 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.8821 -2.4409 1.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.7319 -1.8140 0.4483 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 13.2873 -3.5603 1.8765 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7992 -4.1188 -0.4108 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9788 -5.2553 -0.8809 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.5745 -5.5530 -0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8548 -6.3477 -0.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8569 -6.4863 -0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.2663 -5.9439 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1447 -4.5756 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1702 -5.0832 0.9061 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8322 -5.4296 1.3951 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.7147 -4.8747 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7578 -3.7484 -0.0103 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7266 -4.7641 2.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1730 -4.5255 3.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8720 -4.2495 1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6545 -5.7414 0.3246 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5143 -5.3917 -0.5095 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.5368 -4.6595 0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8296 -5.0404 1.5038 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0470 -6.6455 -1.2252 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.0816 -6.2616 -2.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6239 -7.6890 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4447 -7.4120 -3.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1094 -3.5601 -0.2273 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3126 -2.9135 0.3032 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.4579 -3.3391 -0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2807 -3.5387 -1.8289 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2160 -1.3834 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3611 -0.7046 1.7220 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6878 -3.4490 -0.0292 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8845 -3.9068 -0.7486 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -7.1101 -3.4502 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9920 -3.1425 1.2748 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8380 -5.4056 -1.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8346 -6.4267 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8221 -6.4617 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8213 -7.4280 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8271 -7.4305 1.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8278 -8.3941 1.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8349 -8.3922 2.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3274 -3.3423 -0.6153 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.2392 -2.2846 -0.1585 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -8.6564 -0.8593 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7005 -0.4877 -0.7145 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.9746 -2.8946 1.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.0274 -4.3854 0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.1450 -4.5411 -0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.3763 0.0068 0.7804 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.1689 1.4525 0.6057 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -7.6856 1.8250 0.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9957 1.2034 1.7251 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.1345 2.2686 1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.8858 3.1837 0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.6137 2.5917 -0.3108 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -10.6665 4.4318 0.6397 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9943 4.0194 0.3767 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2969 3.0357 -1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4211 4.2151 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2259 5.6641 -2.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3035 7.9354 -1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7330 7.4300 -1.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3369 7.9811 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2706 6.5261 0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9265 9.2068 -0.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6645 8.6640 0.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2037 7.6809 -1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6330 6.8371 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.9086 5.7252 1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.5651 5.4059 -0.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.9820 6.2337 -2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5311 3.5953 -0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6079 4.1201 1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7848 2.0380 1.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7609 1.5369 0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5351 4.1801 0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1848 3.9344 -2.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8479 6.4774 -2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1938 6.7728 -0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2778 7.2808 -3.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1605 5.9883 -2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0447 5.6153 -3.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5714 5.1675 -2.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5147 5.8686 -1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3840 5.1990 0.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0850 4.0839 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4718 5.8628 1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8741 6.0913 2.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9498 8.1771 1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2881 7.6322 -0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7312 7.7028 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4557 8.0296 1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4520 10.0897 1.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9319 10.0148 0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5505 9.8051 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 42151 1 0 | |
| 43152 1 0 | |
| 44153 1 0 | |
| 45154 1 6 | |
| 48155 1 0 | |
| 48156 1 0 | |
| 49157 1 0 | |
| 49158 1 0 | |
| 50159 1 0 | |
| 50160 1 0 | |
| 51161 1 0 | |
| 53162 1 0 | |
| 53163 1 0 | |
| 54164 1 0 | |
| 54165 1 0 | |
| 56166 1 6 | |
| 59167 1 0 | |
| 59168 1 0 | |
| 60169 1 0 | |
| 60170 1 0 | |
| 61171 1 0 | |
| 61172 1 0 | |
| 63173 1 1 | |
| 66174 1 0 | |
| 66175 1 0 | |
| 67176 1 0 | |
| 67177 1 0 | |
| 68178 1 0 | |
| 68179 1 0 | |
| 69180 1 0 | |
| 70181 1 6 | |
| 73182 1 6 | |
| 74183 1 0 | |
| 74184 1 0 | |
| 75185 1 0 | |
| 75186 1 0 | |
| 75187 1 0 | |
| 76188 1 0 | |
| 76189 1 0 | |
| 76190 1 0 | |
| 77191 1 0 | |
| 78192 1 1 | |
| 81193 1 0 | |
| 81194 1 0 | |
| 83195 1 0 | |
| 84196 1 6 | |
| 87197 1 0 | |
| 87198 1 0 | |
| 89199 1 0 | |
| 90200 1 0 | |
| 91201 1 0 | |
| 92202 1 0 | |
| 93203 1 0 | |
| 95204 1 6 | |
| 98205 1 0 | |
| 98206 1 0 | |
| 99207 1 0 | |
| 99208 1 0 | |
| 100209 1 0 | |
| 100210 1 0 | |
| 101211 1 0 | |
| 102212 1 6 | |
| 105213 1 0 | |
| 105214 1 0 | |
| M CHG 4 14 1 37 1 53 1 107 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |