| 6d07_ligand | |
| RDKit 3D | |
| 153152 0 0 0 0 0 0 0 0999 V2000 | |
| 10.3271 2.4031 0.1655 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 10.5057 1.4812 -1.0141 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 9.3293 0.5053 -1.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.9476 0.1940 -2.3366 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.8918 0.8287 -0.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.1752 -0.2507 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.7468 -1.6666 -0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.3683 -2.7499 0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.7613 -4.0567 0.2265 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 8.7199 0.0074 -0.0706 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3514 -0.5401 -0.1918 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.4439 0.6989 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8318 1.6828 0.6199 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0551 -1.5675 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9398 -3.0046 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.0330 -3.9014 0.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.2344 -3.6989 0.7573 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6067 -4.9651 1.6745 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1845 0.6050 -0.5716 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2107 1.6996 -0.3869 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.7468 1.3134 -0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8264 2.1136 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6100 3.0010 -1.1483 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 4.1137 4.1626 -0.4645 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1471 3.0525 -2.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5109 0.0267 -1.1363 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1119 -0.4177 -1.3008 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.5854 -0.7058 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3275 -1.1999 0.9661 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0163 -1.6601 -2.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7034 -0.2865 0.3562 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2638 -0.2373 1.7117 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.7542 0.1886 1.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1928 1.0173 2.5026 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4390 0.7000 2.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4056 2.1656 2.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7034 2.9424 2.8558 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5791 4.4010 2.6289 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0180 5.0657 1.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5052 4.4569 0.4898 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 0.9647 6.4055 1.5558 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5399 -0.4148 0.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0017 -0.4009 0.8212 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -5.6581 0.9881 1.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2703 2.0501 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3603 3.1093 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6782 3.9021 1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.8088 4.9306 0.8995 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -5.6447 -0.9777 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0618 -1.0098 -1.5476 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5039 5.9411 -0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9704 5.6738 2.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.1456 4.2392 0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9894 -1.2294 -0.2973 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9806 -1.3722 -1.3638 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -8.2918 -2.7931 -1.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.9527 -2.9787 -2.8898 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7615 -0.4252 -2.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.0094 0.0513 -3.0755 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9401 -3.8184 -1.0214 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3393 -5.2167 -1.2202 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -7.9395 -6.0224 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5221 -7.1814 -0.0044 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7840 -5.8588 -2.5060 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -8.2371 -7.2121 -2.6743 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2631 -5.8337 -2.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1843 -5.3611 1.2384 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1029 -5.3141 2.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2360 -4.0454 2.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0421 -4.0501 2.4643 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -6.8201 -3.0999 1.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.3610 2.7704 0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.9361 3.2296 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.5455 1.9907 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4695 2.1636 -1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.6262 1.6305 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.1125 0.4169 -1.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.2606 -0.2642 0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.7099 0.0071 1.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.6550 -1.7393 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.0288 -1.8554 -1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.4475 -2.8380 0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.1634 -2.5634 1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.7353 -4.0277 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.8397 -4.3241 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.1346 -4.8235 0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.8488 0.4862 0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1900 -0.9536 -1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8182 -1.5051 1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1070 -1.3147 1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9740 -3.0457 -0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9618 -3.4085 0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6221 -5.2111 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2608 -5.6755 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0281 -0.0230 -1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2303 1.9116 0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7045 3.1078 -1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5827 4.2112 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4983 2.1845 -3.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5306 3.9631 -3.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0573 3.1139 -2.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0958 -0.6877 -0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5376 0.4041 -1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3805 -1.4484 -3.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6129 -2.4829 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0212 -2.0063 -2.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3066 -0.0140 -0.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2090 -1.2618 2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8403 0.6691 3.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5874 0.3265 2.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3456 2.6579 2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2672 2.2213 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6402 2.7964 3.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7092 2.6123 2.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2241 4.9487 3.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4252 3.4526 0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0037 4.9340 -0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2382 6.9305 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6196 6.9310 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1774 -1.2575 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2599 -1.0481 1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7535 0.8675 1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4375 1.3588 2.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3338 2.5373 0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0609 1.5935 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0253 3.7860 -0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2629 2.6098 -0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7794 4.4543 1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9851 3.2362 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2567 6.7410 -0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5519 5.4477 -1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5039 6.3505 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2394 4.9492 3.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.7515 6.4336 2.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0119 6.1514 2.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.9342 4.9951 0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.1018 3.8139 -0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.3101 3.4599 1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1468 -1.8273 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.9167 -1.0725 -0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2064 0.4702 -2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1904 -0.8964 -3.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.3821 -0.7031 -3.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.3683 -3.5940 -0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.4422 -5.2486 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1817 -5.3195 -3.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -7.5984 -5.2700 3.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4976 -6.2288 2.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 2 3 1 0 | |
| 2 5 1 0 | |
| 3 4 2 0 | |
| 3 10 1 0 | |
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| 67151 1 0 | |
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| 68153 1 0 | |
| M CHG 5 1 1 9 1 40 1 48 1 70 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |