| 6d40_ligand |
| RDKit 3D |
|
|
| 216223 0 0 0 0 0 0 0 0999 V2000 |
| 6.5694 1.7965 -0.9696 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9403 3.1555 -0.6414 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.2507 3.9259 0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8652 4.4756 1.3728 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8542 3.9887 0.3739 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9483 4.2259 1.5254 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.4711 3.9958 1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5409 4.6892 1.6687 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1673 5.6858 1.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9411 5.9854 3.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0685 7.4907 3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2178 8.1850 3.0272 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5273 7.9352 3.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9885 6.9576 3.9066 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 7.4088 8.7185 2.4637 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2874 3.0848 0.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4441 3.3346 -1.0129 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.2560 4.2323 -1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0220 4.7823 -2.1919 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0446 2.0555 -1.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0166 0.9930 -0.5508 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8424 4.0584 -0.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2143 4.9674 0.7712 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.7397 4.9025 0.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3731 5.7993 1.5489 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6465 6.3708 0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0313 7.3838 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6545 8.7422 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7181 7.0215 -1.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0264 9.7838 -1.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0316 7.9808 -2.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6884 9.3493 -2.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8648 10.2065 -3.4141 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4422 3.7400 0.7391 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5234 3.7731 -0.2869 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.4368 2.5477 -0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2515 2.2592 -1.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1560 4.0616 -1.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2016 5.0188 -2.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7764 5.3445 -3.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5231 6.5498 -4.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8920 6.2209 -4.6694 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -5.6469 2.0084 1.0212 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0083 1.4322 1.2886 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.1421 0.0418 0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7070 -0.1740 -0.4826 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1210 2.3709 0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1114 2.6451 1.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5629 -1.0661 1.2423 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4734 -2.2191 1.4686 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.4677 -3.1498 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5028 -3.6019 -0.3205 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9082 -1.8987 1.8829 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -8.9463 -1.0418 3.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.6909 -3.1866 2.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.3638 -0.5985 3.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2862 -3.4705 -0.4161 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9602 -4.9834 -0.3365 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.1681 -5.2190 0.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4721 -4.7102 2.0443 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1631 -5.2926 -1.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8184 -4.3002 -2.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1811 -3.0672 -1.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0978 -6.1111 0.9210 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0524 -5.9551 1.9405 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.6447 -6.0870 1.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2405 -7.0118 0.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3549 -7.1209 2.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3163 -8.0582 2.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3025 -7.5730 0.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8180 -4.9926 1.6008 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6136 -5.1424 1.7117 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.2752 -4.9465 0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6402 -5.8472 -0.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1224 -6.3789 2.4631 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.5025 -6.3661 3.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6544 -6.4183 2.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7278 -7.7007 4.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2546 -3.5929 -0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4234 -3.0931 -1.3661 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.9481 -2.8959 -1.7676 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5784 -1.8347 -1.6477 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7876 -1.7334 -1.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1658 -0.6183 -0.1014 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6350 -4.1275 -1.9713 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0521 -4.2823 -1.8047 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.4605 -3.7486 -0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6806 -3.2871 0.4429 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8254 -3.5660 -2.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1551 -4.3466 -4.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9135 -3.7002 -5.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8802 -5.7222 -4.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4091 -4.4466 -6.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4120 -6.4462 -5.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1662 -5.8097 -6.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7230 -3.9389 0.0021 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1979 -3.4859 1.3396 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 7.2682 -1.9454 1.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0518 -1.3360 2.5225 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5870 -4.0700 1.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5357 -5.3003 0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6451 -4.8611 -0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5689 -1.2630 0.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7890 0.2008 0.3747 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.5098 0.9571 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4613 0.7478 0.6725 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.9188 0.4701 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.9599 1.3277 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.1409 0.8636 0.1326 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 9.5765 2.4706 0.4548 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1079 2.8334 -1.7661 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9896 3.4074 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4665 3.4267 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2162 3.6050 2.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4579 6.3199 1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1571 6.0737 1.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8987 5.6777 3.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6372 5.3925 4.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1457 7.9664 3.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0937 7.7168 4.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9496 8.9378 2.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9787 6.7531 3.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3516 6.3048 4.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1694 9.6172 2.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3359 8.3295 2.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2668 2.1169 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1709 3.8057 -1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3858 2.2508 -2.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9246 1.4804 -2.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6086 3.5089 -0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7744 4.5327 1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4607 6.3237 0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9139 6.9382 1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0981 8.9492 0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0556 6.0226 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5306 10.7615 -0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4309 7.6556 -3.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6360 10.8762 -3.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9919 3.7216 1.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1877 4.5842 0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1368 3.1292 -2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1739 4.4697 -1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3486 5.9407 -1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1664 4.4926 -2.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9629 4.4390 -4.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6987 5.5632 -3.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0374 6.8758 -5.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5035 7.3299 -3.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3427 5.5808 -3.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3966 7.1206 -4.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9222 5.7414 -5.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9186 1.3044 1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0217 1.3698 2.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6780 3.3390 0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6189 1.9424 -0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7157 2.9151 2.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0067 -1.4613 0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0314 -2.8260 2.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.3901 -1.3014 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3173 -0.1596 3.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5334 -1.6137 3.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.4250 -3.3455 1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0333 -4.0771 2.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.3032 -3.1795 2.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.9451 -0.4331 2.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.3583 0.3342 4.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.8866 -1.3580 4.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8542 -5.5575 -0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| -6.6880 -4.7272 -3.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| -7.0853 -2.6192 -2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3028 -2.3638 -1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1776 -5.0181 2.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5143 -7.6930 3.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9120 -6.7636 3.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 77189 1 0 |
| 78190 1 0 |
| 78191 1 0 |
| 78192 1 0 |
| 79193 1 0 |
| 80194 1 6 |
| 83195 1 0 |
| 83196 1 0 |
| 85197 1 0 |
| 86198 1 1 |
| 89199 1 0 |
| 89200 1 0 |
| 91201 1 0 |
| 92202 1 0 |
| 93203 1 0 |
| 94204 1 0 |
| 95205 1 0 |
| 97206 1 1 |
| 100207 1 0 |
| 100208 1 0 |
| 101209 1 0 |
| 101210 1 0 |
| 102211 1 0 |
| 102212 1 0 |
| 103213 1 0 |
| 104214 1 1 |
| 107215 1 0 |
| 107216 1 0 |
| M CHG 3 14 1 42 1 109 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
