| 6d3x_ligand |
| RDKit 3D |
|
|
| 219226 0 0 0 0 0 0 0 0999 V2000 |
| 7.7835 2.4521 -0.2961 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8107 2.5073 0.7119 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.7118 3.4378 0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8709 3.1413 -0.4548 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6531 4.5894 1.1381 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5408 5.4878 0.8954 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 3.1517 4.8070 0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4744 4.9842 -0.3322 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8392 6.5105 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5190 7.9636 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6644 8.5578 1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3773 8.4067 2.4045 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3529 7.8210 3.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8535 7.7675 2.9594 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 5.8112 7.3994 4.4573 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6715 4.0390 1.7694 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8415 2.8979 1.4253 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.4744 3.2467 0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2839 3.3749 -0.4527 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6195 1.9514 2.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5663 0.4527 2.3817 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4886 3.5682 1.7387 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5070 4.5271 1.3962 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.6780 3.8800 0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5040 3.1895 -0.5138 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7976 5.7931 0.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4723 6.5651 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2893 7.6357 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1577 6.4005 -1.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7226 8.5685 -0.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6750 7.2860 -2.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4437 8.3741 -2.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0501 9.2051 -3.0879 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9567 4.1945 0.9817 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9976 4.3355 0.0204 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.1922 3.3704 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9969 3.2450 0.8601 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5335 4.7955 -1.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4660 5.8135 -1.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2417 7.1820 -1.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1559 7.7707 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5388 7.4032 -0.5432 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -6.2532 2.6840 -1.2664 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6892 1.3100 -1.4124 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.1986 0.4357 -0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0409 0.7717 0.9137 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2235 0.8343 -2.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6724 1.6632 -3.8716 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1396 -0.8845 -0.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4580 -1.9174 0.3685 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.4716 -3.3255 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3209 -4.1216 0.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8468 -1.6240 0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1258 -2.2209 2.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.6320 -2.4579 2.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.0624 -2.7922 3.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.5306 -2.5403 3.9659 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -5.4315 -3.6378 -1.1252 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1152 -5.0843 -1.2231 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.2288 -5.6014 -0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3938 -6.5052 -0.3815 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4938 -5.2557 -2.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2336 -4.2206 -3.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2347 -3.0512 -2.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5367 -5.1766 1.1501 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4442 -5.4456 2.1318 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.0789 -4.8658 1.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6040 -4.8120 0.6244 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6776 -6.8831 2.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2123 -7.1039 2.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7250 -5.8212 1.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2830 -4.4882 2.7990 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1793 -4.6324 2.6435 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.9539 -3.4341 2.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7557 -2.8265 2.8105 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6426 -6.0830 2.2319 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.1754 -6.2544 0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3731 -7.2016 2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3701 -7.6678 0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7781 -3.1639 0.7696 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9117 -2.5536 -0.0435 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 3.1928 -3.3613 0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1937 -4.2273 1.0648 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2287 -1.0883 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6969 -0.0533 0.3770 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3837 -3.0345 -0.3912 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6237 -3.4930 0.3262 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.9064 -2.8561 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7189 -1.9119 -1.2064 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7523 -5.0112 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4921 -5.8475 -0.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8675 -5.4211 -2.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9865 -7.1450 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8433 -6.3107 -3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9439 -8.0404 -1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4070 -7.6181 -2.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1326 -3.3576 0.0103 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2432 -2.3965 0.4275 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 8.9621 -0.9190 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9259 -0.4669 0.8343 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.5456 -2.9506 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.2208 -4.3821 -0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7178 -4.3272 -0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.8876 -0.0404 -0.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.4630 0.9301 -1.2749 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 8.0476 1.4362 -1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0378 1.0157 -1.7406 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.5869 0.3213 -2.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.9383 0.6278 -3.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.7062 -0.3893 -3.4131 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 11.2373 1.8488 -3.4831 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2254 2.9386 0.9325 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4513 1.5799 1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5507 4.9276 1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4703 6.0341 1.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1673 6.2993 -1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8414 6.3978 -0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4419 8.5781 -0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5941 8.0485 0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8619 9.6192 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5253 8.0007 0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3314 8.5031 2.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5020 8.6063 3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2464 7.0441 2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9774 7.7711 4.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3935 7.0010 5.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4192 4.5221 2.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4230 2.3302 0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1526 2.5247 3.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5849 1.6524 3.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7845 2.8136 2.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9867 4.8642 2.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1780 5.5504 0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5067 6.4534 1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6463 7.6530 1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5100 5.5835 -2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4153 9.3366 -0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4786 7.1802 -3.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6196 10.1093 -2.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2529 3.6459 1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5704 5.1876 0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5733 5.2832 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3210 3.9398 -2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5109 5.4914 -2.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1351 5.9088 -3.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3195 7.0740 -0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0939 7.9096 -2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0675 8.8679 -0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8804 7.4336 0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7577 7.4624 -1.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7215 6.4170 -0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1892 7.9776 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0541 3.1429 -2.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7748 1.3520 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1144 0.8362 -2.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5416 -0.1883 -3.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6037 1.9500 -3.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3561 -1.1304 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6647 -1.8578 1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5867 -1.9972 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0820 -0.5801 1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6190 -3.1781 2.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7708 -1.5370 3.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.9458 -3.2635 1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.1397 -1.5540 2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.8754 -3.8208 4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.5705 -2.1395 4.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.8082 -1.6837 3.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.8287 -2.4430 4.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -12.0448 -3.3119 3.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0713 -5.6197 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4279 -5.0128 -2.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5580 -6.2736 -3.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7709 -3.9973 -4.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2584 -4.5675 -3.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| -3.7450 -4.7801 3.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 64176 1 0 |
| 64177 1 0 |
| 66178 1 1 |
| 69179 1 0 |
| 69180 1 0 |
| 70181 1 0 |
| 70182 1 0 |
| 71183 1 0 |
| 71184 1 0 |
| 72185 1 0 |
| 73186 1 1 |
| 76187 1 1 |
| 77188 1 0 |
| 77189 1 0 |
| 78190 1 0 |
| 78191 1 0 |
| 78192 1 0 |
| 79193 1 0 |
| 79194 1 0 |
| 79195 1 0 |
| 80196 1 0 |
| 81197 1 6 |
| 84198 1 0 |
| 84199 1 0 |
| 86200 1 0 |
| 87201 1 1 |
| 90202 1 0 |
| 90203 1 0 |
| 92204 1 0 |
| 93205 1 0 |
| 94206 1 0 |
| 95207 1 0 |
| 96208 1 0 |
| 98209 1 1 |
| 101210 1 0 |
| 101211 1 0 |
| 102212 1 0 |
| 102213 1 0 |
| 103214 1 0 |
| 103215 1 0 |
| 104216 1 0 |
| 105217 1 6 |
| 108218 1 0 |
| 108219 1 0 |
| M CHG 4 14 1 42 1 57 1 110 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
