| 6d3y_ligand | |
| RDKit 3D | |
| 214220 0 0 0 0 0 0 0 0999 V2000 | |
| -7.6191 2.0316 -0.4014 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9315 3.3416 0.1700 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -6.8972 4.2659 0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9542 5.4702 0.6391 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7615 3.7274 1.1754 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6232 4.6547 1.6128 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.2380 4.0486 1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2870 4.5958 2.0137 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8507 5.0009 3.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9112 6.0458 3.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0461 6.4551 4.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6582 7.7873 4.7189 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9079 8.9346 4.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6137 8.8385 4.3255 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -6.5418 10.0879 4.4557 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0566 3.1418 0.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6980 2.6206 0.0215 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.1020 3.6390 -1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8228 4.4734 -1.5261 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9570 1.2637 -0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6402 0.0927 -0.3169 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2333 3.4965 -1.3838 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8295 4.1280 -2.5836 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.2204 3.4735 -2.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4089 2.4384 -1.8733 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7664 5.6429 -2.5638 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 1.3064 6.2124 -3.8095 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4309 6.3664 -1.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2220 3.8611 -3.4069 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6689 3.6033 -3.1198 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.0729 3.6860 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4375 4.3977 -0.7539 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4577 4.7867 -3.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7253 6.0952 -3.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3305 7.4315 -3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6881 7.7362 -5.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5595 7.4881 -5.9206 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 6.2168 3.0804 -1.2548 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8566 2.9960 0.0910 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.6689 1.7169 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.8965 1.7426 0.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9185 2.8430 1.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6556 2.4374 2.4831 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0285 0.5650 -0.3571 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6050 -0.8861 -0.1671 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.4304 -1.8507 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3702 -1.2303 -0.0169 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1358 -0.9961 1.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.2775 -1.9782 1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4047 -1.9005 0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.7090 -2.0456 1.0691 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.2245 -1.0043 1.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.5961 0.2137 1.8518 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 13.3692 -1.1749 2.4567 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4513 -3.1784 -0.6585 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1601 -3.7653 -0.9625 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 4.4191 -4.2776 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2517 -3.8272 0.4237 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4086 -4.8828 -1.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8745 -4.7889 -2.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4725 -4.1328 -1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8781 -5.2805 1.1688 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8361 -6.0468 1.8647 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.4900 -6.1496 1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3531 -6.8926 0.1651 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7764 -5.5094 3.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2401 -5.5285 3.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8930 -5.0947 2.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4965 -5.2816 1.5436 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1234 -5.6049 1.2272 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.8792 -4.4944 1.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8400 -4.7821 0.3186 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3878 -6.4565 2.4147 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.2805 -7.8082 2.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9089 -6.5183 2.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1903 -8.8011 3.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7206 -3.2615 1.4752 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0118 -2.6071 1.9017 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| -1.8971 -1.1293 2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4921 -0.1074 1.7367 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2318 -3.1676 0.9044 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9019 -3.6657 -0.3385 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -6.3131 -3.1488 -0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5928 -2.8658 -1.9038 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -5.2839 -5.8506 -1.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4409 -5.6871 -2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4587 -6.5938 -1.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6420 -6.2400 -4.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6501 -7.1539 -3.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7960 -7.0178 -4.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2523 -2.9008 0.2897 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.5931 -2.5767 -0.1893 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -8.8691 -1.0962 -0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.8696 -0.5314 -0.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.5647 -3.1488 0.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6824 -3.8810 1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -7.9127 -0.5248 -1.3175 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2841 0.5810 -2.2146 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| -11.0462 0.9320 -4.5977 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
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| 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 1 | |
| 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 | |
| $$$$ | |