| 6d3y_ligand | |
| RDKit 3D | |
| 214220 0 0 0 0 0 0 0 0999 V2000 | |
| -6.7392 2.5662 -0.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7457 3.9304 -0.7504 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -5.5927 4.5170 -1.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7700 5.3290 -2.3644 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3341 4.1371 -1.0199 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2681 5.1425 -1.0520 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.9134 4.4359 -1.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4060 4.3997 -2.3936 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3322 6.0796 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3946 7.1859 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5211 8.0484 1.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0772 7.2902 2.3833 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9904 7.6055 3.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4232 6.6118 4.4845 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -4.5506 8.6885 4.2079 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2569 3.7309 -0.3101 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6040 3.3480 1.0613 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -0.3744 2.9581 1.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4881 2.1414 2.8516 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7080 2.2640 1.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6708 0.9242 -0.1229 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8283 3.5895 1.8386 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3701 4.5604 0.8804 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 2.8991 4.5529 1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4017 4.8944 2.1783 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7461 5.9795 1.0470 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.8736 6.7258 -0.1679 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3110 6.8448 2.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7749 4.1060 0.1583 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5649 3.5082 -1.1644 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 4.8800 2.9456 -1.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4758 3.5051 -2.7253 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9483 4.5089 -2.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3413 5.9883 -2.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8308 6.3237 -2.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1147 7.7807 -1.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7898 8.0451 -0.3141 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 5.3906 1.7489 -1.3683 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4121 1.6852 -0.2937 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 5.7553 1.3192 1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9226 2.0742 1.5414 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2667 2.9644 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2789 2.8230 0.8351 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0078 0.1028 1.6053 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8336 -1.0353 1.1672 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 6.3637 -2.2843 1.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8869 -2.1551 3.1007 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3376 -0.8557 1.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.2833 -0.3842 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.3623 -1.3098 -0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.0755 -0.6431 -1.8876 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.4291 -0.5485 -1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.8866 0.0029 -3.0306 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 12.2005 -0.9293 -0.9368 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7368 -3.5083 1.4509 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3979 -3.9647 0.1020 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 4.9226 -4.4452 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4279 -5.2092 0.8428 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3365 -5.1713 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4552 -5.7486 1.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9512 -4.6479 2.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2189 -4.0237 -1.1488 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7506 -4.2268 -1.0850 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 2.0961 -3.6306 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6031 -2.6654 0.7783 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5857 -5.6967 -1.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8687 -6.0459 -2.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6396 -4.7245 -2.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8656 -4.0256 0.6397 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1940 -4.7053 -0.0982 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -1.2278 -3.7368 -0.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4624 -3.8283 -1.9468 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6951 -5.9776 0.6264 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.5383 -6.8487 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4123 -5.6956 1.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7964 -8.2566 0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9442 -2.8071 -0.0767 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9757 -2.2962 1.2904 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -3.4186 -2.0214 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6914 -1.0912 2.5737 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0459 -1.0780 1.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8214 0.0720 0.1151 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3619 -3.0210 1.6694 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2049 -3.1627 0.4505 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -6.6887 -3.2928 0.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0098 -3.2388 2.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8310 -4.3828 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2125 -5.7636 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0982 -6.1498 1.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.6864 -6.7115 -0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4710 -7.4311 1.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0770 -7.9882 -0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9814 -8.3453 0.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5907 -3.5401 -0.1163 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1026 -2.4849 -0.9773 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -9.1253 -1.5802 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.2576 -1.9664 0.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.8347 -3.3052 -2.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.3574 -4.5418 -1.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6276 -4.5379 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.7634 -0.3162 0.1359 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1487 0.6421 -0.7941 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -7.9308 1.9317 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.7963 2.3778 0.7483 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.1007 0.9810 -1.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6097 0.4119 -3.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.4165 0.7499 -4.2900 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -7.6140 -0.2724 -3.4494 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5119 3.5988 0.6144 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7167 4.3138 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0555 3.3215 -1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4151 5.7541 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5549 5.4955 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3545 6.5493 0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1301 7.8244 -0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3796 6.7561 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1862 8.8936 1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5413 8.4574 1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3649 6.3361 2.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4294 6.9560 5.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3492 6.2810 4.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2908 9.3479 3.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5580 3.1263 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9915 4.2359 1.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6649 2.7454 0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7944 1.8306 2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4785 3.2542 2.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1566 4.1722 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3293 5.8819 1.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1807 6.4096 -0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2871 6.3282 3.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7199 7.7627 2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3309 7.1766 1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6052 3.7865 0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8852 2.6544 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8540 4.4677 -2.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1457 4.1962 -3.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8084 6.5713 -2.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9622 6.3288 -1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1875 6.1317 -3.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4133 5.6867 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5178 8.4762 -2.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1786 8.0083 -1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1189 8.9744 -0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7751 8.0188 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2239 7.3580 0.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8358 1.3453 -2.1837 H 0 0 0 0 0 0 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 6 | |
| 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 | |
| $$$$ | |