| 6d3z_ligand |
| RDKit 3D |
|
|
| 223230 0 0 0 0 0 0 0 0999 V2000 |
| -7.5307 2.0079 0.1223 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9480 3.3286 0.3630 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.1306 4.2105 1.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5627 5.3005 1.5794 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9044 3.7153 1.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9299 4.4344 2.4044 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.5001 3.9446 2.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5391 4.0729 2.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1969 4.2693 3.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4578 4.9568 4.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4455 6.4751 4.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6301 7.1024 4.9111 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.8508 7.1831 4.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1317 6.6684 3.1574 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -9.8285 7.8045 5.0242 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3847 3.4505 0.7584 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0706 3.1444 0.1742 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.5538 4.4683 -0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3227 5.3595 -0.8058 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1681 2.0729 -0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8288 0.4865 -0.2699 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1864 4.5939 -0.5539 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4124 5.8398 -1.0535 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.7710 5.5139 -1.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8352 5.0343 -2.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4490 6.9377 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2059 8.1947 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9169 8.8806 -1.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2308 8.6815 0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7030 9.9598 -1.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0119 9.7687 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7537 10.3759 -1.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5953 11.3456 -1.6046 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9025 5.6750 -0.9503 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1875 5.1036 -1.3530 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 4.4311 3.9775 -0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9613 4.0287 0.7992 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3268 6.1289 -1.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0645 7.4442 -2.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1584 7.3373 -3.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4637 8.4882 -4.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9701 9.8078 -3.8112 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 5.2417 2.9587 -0.7618 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4432 1.7831 0.0845 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.6446 0.9947 -0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1469 1.2203 -1.5579 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1840 0.8960 0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8919 0.2968 -1.1066 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1015 0.0051 0.3876 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8222 -1.1358 -0.1826 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.7410 -2.1841 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5480 -1.9709 -0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8419 -1.6809 0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2474 -2.0010 2.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2426 -2.6702 3.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.3304 -1.7595 3.5526 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.6146 -1.8170 3.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.0653 -2.7183 2.2955 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 12.4820 -0.9332 3.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1797 -3.3627 -1.1485 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2540 -4.5070 -1.2893 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.0516 -5.1775 0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1071 -4.5529 1.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9509 -5.4116 -2.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7577 -4.4399 -3.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2412 -3.4184 -2.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8093 -6.5609 0.0581 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4376 -6.9818 0.3834 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 3.2627 -6.3215 -0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4078 -5.7509 -1.4544 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3825 -6.9847 1.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8015 -7.3959 2.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6325 -7.2797 1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0168 -6.5789 0.1643 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7869 -6.2039 -0.5240 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.2229 -4.8793 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4991 -4.4606 1.1534 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2962 -7.3208 -0.4693 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.0439 -7.4969 0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2522 -8.6618 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2125 -7.8732 2.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7098 -4.2745 -0.7864 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4944 -3.0998 -0.3599 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.8719 -3.3204 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2773 -2.6906 -1.9849 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8143 -1.7757 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1654 -0.4495 0.4905 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5600 -4.3848 -0.4618 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8389 -4.8799 -0.9963 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.0485 -4.0219 -0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0344 -3.9071 -1.2909 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0541 -6.3500 -0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9845 -7.1420 -1.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5799 -7.5435 -2.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2486 -7.5321 -1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4191 -8.3290 -3.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0855 -8.3148 -1.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6698 -8.7179 -3.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0928 -3.4837 0.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2287 -2.6418 1.1017 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.2663 -1.3438 0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2570 -0.7807 -0.1478 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9869 -2.2997 2.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0671 -3.4147 3.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1958 -3.6884 1.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5331 -0.8002 0.1066 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7605 0.1449 -1.0051 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.8005 1.3583 -1.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3508 1.7740 -2.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.2228 0.5936 -0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.4788 1.7881 -1.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.6572 2.9154 -1.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.4904 1.5559 -3.2212 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5598 2.1871 1.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4892 3.8051 -0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6761 2.7597 1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9663 5.4951 2.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2681 3.1970 4.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3419 4.6467 4.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5377 4.7269 5.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3582 4.5253 4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3785 6.8105 3.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5673 6.8892 4.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4840 7.6071 5.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4159 6.1981 2.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.0391 6.7416 2.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.7604 7.8755 4.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.6897 8.1852 5.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0883 3.7789 0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3843 2.8348 0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8654 2.4004 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2040 1.9038 -1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4202 3.8839 -0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2258 6.2056 -1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5744 7.2281 0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8800 6.5161 0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0883 8.5688 -2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4538 8.1869 1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4739 10.4819 -2.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8295 10.0962 0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6679 12.0044 -0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7664 5.7089 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1279 4.6805 -2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4880 6.3774 -0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2631 5.6795 -1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7940 8.1875 -1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0788 7.8266 -1.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7008 6.4035 -3.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2147 7.2943 -3.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3852 8.4858 -4.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6456 8.4260 -5.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6332 10.5573 -4.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9945 9.8599 -3.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6183 10.0654 -2.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3879 2.8035 -1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6912 2.1429 1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3044 1.4858 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2933 0.1046 0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2655 -0.6131 -1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4345 -0.2771 1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3477 -0.8178 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.3310 -2.5753 0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.6256 -0.9205 0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3831 -2.6587 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8880 -1.0798 2.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.6435 -3.5958 2.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7287 -2.9532 4.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.0967 -1.0634 4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.4481 -3.3883 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.0416 -2.7620 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.4601 -0.9421 3.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.2013 -0.2275 4.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2980 -4.1332 -1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6322 -6.1232 -1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2358 -5.9880 -2.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5805 -4.9205 -3.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1043 -3.9581 -3.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 9.1538 -3.7615 -1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 50161 1 6 |
| 53162 1 0 |
| 53163 1 0 |
| 54164 1 0 |
| 54165 1 0 |
| 55166 1 0 |
| 55167 1 0 |
| 56168 1 0 |
| 58169 1 0 |
| 58170 1 0 |
| 59171 1 0 |
| 59172 1 0 |
| 61173 1 6 |
| 64174 1 0 |
| 64175 1 0 |
| 65176 1 0 |
| 65177 1 0 |
| 66178 1 0 |
| 66179 1 0 |
| 68180 1 6 |
| 71181 1 0 |
| 71182 1 0 |
| 72183 1 0 |
| 72184 1 0 |
| 73185 1 0 |
| 73186 1 0 |
| 74187 1 0 |
| 75188 1 6 |
| 78189 1 6 |
| 79190 1 0 |
| 79191 1 0 |
| 80192 1 0 |
| 80193 1 0 |
| 80194 1 0 |
| 81195 1 0 |
| 81196 1 0 |
| 81197 1 0 |
| 82198 1 0 |
| 83199 1 1 |
| 86200 1 0 |
| 86201 1 0 |
| 88202 1 0 |
| 89203 1 6 |
| 92204 1 0 |
| 92205 1 0 |
| 94206 1 0 |
| 95207 1 0 |
| 96208 1 0 |
| 97209 1 0 |
| 98210 1 0 |
| 100211 1 1 |
| 103212 1 0 |
| 103213 1 0 |
| 104214 1 0 |
| 104215 1 0 |
| 105216 1 0 |
| 105217 1 0 |
| 106218 1 0 |
| 107219 1 6 |
| 110220 1 0 |
| 110221 1 0 |
| 113222 1 0 |
| 113223 1 0 |
| M CHG 3 14 1 42 1 58 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
