| 6d3y_ligand | |
| RDKit 3D | |
| 214220 0 0 0 0 0 0 0 0999 V2000 | |
| -8.1129 2.5446 -1.5969 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6690 3.8827 -1.6084 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -6.5774 4.3702 -0.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3694 3.8991 0.3891 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8233 5.4091 -1.2202 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6128 5.8452 -0.5377 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.4667 4.8765 -0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9203 4.9858 -2.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6897 6.1126 0.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9227 6.8585 1.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0451 8.2963 1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2060 8.9591 1.6521 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.3401 9.2392 2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3255 9.1028 3.8244 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -8.5145 9.6870 3.4219 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1482 3.8835 -0.0539 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0941 2.8647 -0.2689 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.6825 3.5231 -0.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2060 3.3010 0.4834 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3696 1.9498 -1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2916 0.4596 -1.4374 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4993 4.4171 -1.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7155 5.1941 -1.5703 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 1.8224 4.2608 -2.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6796 3.6817 -3.1969 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0398 6.1247 -0.3907 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.1328 6.8975 -0.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1365 7.1332 -0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9604 4.1062 -1.3646 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0680 3.2654 -1.8039 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.1989 3.3588 -0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4632 4.4057 -0.1715 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6414 3.6542 -3.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7991 5.1694 -3.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3184 5.5248 -4.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2062 7.0124 -5.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8887 7.8356 -4.0830 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 5.9452 2.2151 -0.6079 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9453 2.0659 0.4472 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.9790 0.9596 0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1151 1.0283 0.6139 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2867 1.7525 1.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4652 0.5752 1.6954 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4755 -0.1275 -0.5225 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1140 -1.4473 -0.6324 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.7743 -2.2892 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5635 -1.7728 1.7233 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.5406 -1.5767 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.7598 -0.8818 -0.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.0143 -1.1040 0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.9109 -2.2414 1.1687 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.2423 -2.2390 0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.8974 -1.1858 0.5077 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 13.9390 -3.3387 1.3056 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6367 -3.6649 0.3499 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5130 -4.3381 1.0246 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.1475 -3.6238 0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6509 -3.0495 1.9242 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0372 -4.6657 2.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.5419 -4.8566 2.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.7877 -4.4463 0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5198 -3.6099 -0.2782 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1558 -3.1001 -0.4018 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.1402 -4.1565 0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2904 -5.3614 -0.1035 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9915 -2.9067 -1.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8195 -4.0436 -2.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9800 -4.2047 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0468 -3.6372 0.7617 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0585 -4.5259 1.3947 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.2124 -3.7016 1.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6787 -3.5935 2.8673 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6271 -5.3198 2.6034 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.3315 -6.4761 2.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0646 -4.4127 3.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3309 -6.9035 4.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8049 -3.0923 0.6483 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1782 -2.5835 0.7289 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -4.1353 -3.7257 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4355 -4.6353 1.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3585 -1.2174 0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6368 -1.0890 -1.6245 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4824 -3.7690 -1.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4678 -4.6944 -1.6292 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -6.8621 -4.0241 -1.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2276 -3.4144 -2.6193 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3485 -6.1836 -1.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3343 -7.0986 -1.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0509 -8.0415 -1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5427 -7.0533 -3.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9720 -8.8928 -1.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4778 -7.8963 -3.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1995 -8.8106 -3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6223 -3.9550 -0.4538 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6364 -2.9100 -0.3312 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -7.9398 -1.5317 -0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7161 -1.4044 -0.1535 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.4259 -3.2622 0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.9118 -4.6380 1.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4930 -4.6687 0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.8187 -0.4637 -0.1307 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3995 0.8988 0.2172 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -7.4914 1.5576 -0.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3283 1.2464 -1.1056 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.8032 1.0187 1.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.9458 1.0263 2.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.7812 1.8159 3.5932 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
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| -7.8428 4.4041 -2.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -4.3685 6.8097 -1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -4.6346 5.1735 1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8915 6.8276 2.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8408 6.3214 1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1462 8.8857 1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1993 8.3443 -0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.0161 9.1289 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4126 8.8104 3.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -9.3196 9.7939 2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -3.9373 3.5500 0.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1152 2.2689 0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -1.2460 4.5163 -2.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4644 5.8492 -2.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3105 5.5649 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8791 6.2653 -0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2562 7.8427 0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1065 6.6653 -0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8724 7.7284 -1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8906 4.2701 -0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 5.6098 3.1646 -3.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 5.4815 5.5700 -2.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7434 4.9717 -5.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3607 5.2000 -4.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6871 7.2400 -6.0725 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 1 | |
| 105213 1 0 | |
| 105214 1 0 | |
| M CHG 4 14 1 37 1 53 1 107 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |