| 6d3y_ligand |
| RDKit 3D |
|
|
| 214220 0 0 0 0 0 0 0 0999 V2000 |
| -6.4840 1.1993 0.2894 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2304 1.5677 0.8198 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.4208 2.6731 0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5148 2.5022 -0.5205 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6080 3.8881 0.9101 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6970 4.9852 0.5537 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.2365 4.8211 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4684 5.7738 1.2576 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3096 6.3660 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8529 6.5676 2.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9327 7.6446 2.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1263 7.2178 1.5312 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1432 6.5093 2.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1049 6.0302 3.3013 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -9.2416 6.3287 1.3343 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8063 3.5170 1.2875 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4342 3.0545 1.4669 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.1889 2.7091 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0225 1.8295 -0.0809 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3398 1.8300 2.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7126 0.5817 2.3684 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1432 3.5933 -0.9207 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4166 3.4164 -2.2636 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.8782 3.9125 -2.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2267 4.8935 -1.5964 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4512 4.2028 -3.2747 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.7717 3.6483 -3.3183 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0851 4.1608 -4.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7361 3.1934 -3.0757 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1892 3.3906 -3.0741 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 4.8151 2.9732 -1.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1933 2.3257 -0.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6775 4.7200 -3.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4771 6.0063 -2.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2350 7.2212 -3.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6685 7.7079 -4.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3052 9.0009 -5.1470 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 6.1172 3.3328 -1.4959 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8120 3.0577 -0.2293 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 7.5063 1.6839 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6841 1.5605 -0.5853 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0088 3.2844 1.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2408 4.4848 0.9938 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7390 0.6073 0.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2851 -0.7534 0.2885 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.5631 -1.7007 -0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7275 -1.2545 -1.5045 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1375 -1.1906 1.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7239 -0.2314 2.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2025 0.1003 2.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.1108 -1.0351 2.8851 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.6615 -1.3186 4.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.2705 -0.7026 5.1964 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 11.6415 -2.2187 4.1524 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9226 -3.0432 -0.7120 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2124 -4.0299 -1.5654 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 4.7405 -4.2732 -1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2474 -3.5965 -0.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1007 -5.2832 -1.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4667 -4.7603 -1.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1124 -3.6268 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9919 -5.2329 -1.7426 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5355 -5.3033 -1.5345 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.1045 -5.9553 -0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9225 -6.4031 0.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0221 -6.0712 -2.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1959 -6.9545 -3.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3954 -6.0799 -2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7391 -5.9748 -0.0079 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0413 -6.2023 1.2443 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.8977 -4.9322 1.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5850 -4.8371 2.6084 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7330 -6.7630 2.4645 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.1400 -7.4950 3.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5385 -5.6697 3.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9392 -8.6700 2.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8506 -3.9336 0.6553 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7743 -2.7848 0.6145 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.7458 -3.1119 -0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3232 -3.7321 -1.5289 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9451 -1.5320 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8822 0.0168 0.4027 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0583 -2.6752 -0.4268 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9776 -2.6073 -1.5838 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.4129 -2.0232 -1.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9185 -1.3115 -2.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1324 -3.8824 -2.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9473 -5.0208 -1.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4005 -5.9090 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2773 -5.2129 -2.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1700 -6.9387 -0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0480 -6.2423 -1.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4974 -7.1080 -0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1725 -2.3887 -0.2637 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6028 -2.0495 -0.1999 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -8.7863 -0.5746 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7716 -0.2015 1.3706 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1822 -2.9646 0.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0071 -3.7685 1.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7595 -3.0511 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.8536 0.3016 -0.8876 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5766 1.7599 -0.7364 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.0534 1.8846 -0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4527 2.4816 -1.6637 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.3257 2.4756 0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6523 3.4584 1.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4767 3.8613 1.0698 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -9.4027 3.9206 2.2455 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3239 0.4830 -0.0832 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1313 1.3574 1.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6033 4.0816 1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5646 4.9301 -0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1229 6.4875 0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5860 7.1517 0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0345 6.8720 2.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2653 5.6398 2.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5699 8.5609 1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2147 7.9310 3.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2786 7.5145 0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.8144 5.3057 3.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2618 6.0006 3.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.9704 5.7554 1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1667 6.2567 0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3415 2.8490 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1612 3.8750 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3561 2.2093 3.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6155 1.3051 2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3218 4.5445 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3830 2.3437 -2.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5487 5.2517 -2.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0608 3.4485 -2.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6251 4.6287 -5.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2180 3.1270 -5.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0402 4.6890 -4.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4616 2.2180 -3.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5434 2.6113 -3.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1886 4.8307 -4.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7517 4.6227 -3.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4154 6.2800 -2.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7835 5.8620 -1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3015 6.9907 -3.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1552 8.0310 -2.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8878 7.0165 -5.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5911 7.8907 -4.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0676 9.7263 -4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9723 9.3477 -6.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3305 8.9380 -5.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7092 3.5357 -2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6229 3.7998 -0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7078 3.3831 1.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3388 2.4559 1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4375 4.2405 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7495 0.6600 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3426 -0.7397 0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0684 -1.3216 1.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5937 -2.1705 1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5829 -0.6892 3.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1515 0.7024 2.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.4171 0.4590 1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.4900 0.9209 3.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.5514 -1.4593 2.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.7270 -0.8598 6.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.4389 -0.1214 5.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.1159 -2.4056 5.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.9010 -2.8096 3.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1856 -3.6302 -2.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7176 -5.9822 -0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1727 -5.8123 -2.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0830 -5.5213 -0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.9933 -4.3736 -1.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8411 -4.0210 0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.9243 -2.9003 -0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1350 -4.2805 -1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1168 -6.6529 -2.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8187 -5.3615 -3.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2099 -7.8417 -2.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1609 -7.2744 -4.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2594 -6.6899 -2.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6428 -5.4286 -3.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1643 -5.9011 -0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 1.4364 -7.5187 2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 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 |
|
|
| $$$$ |
|
|
