| 6d3y_ligand |
| RDKit 3D |
|
|
| 214220 0 0 0 0 0 0 0 0999 V2000 |
| -7.0007 1.5167 1.0489 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7287 2.0058 1.4650 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.7326 2.6507 0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9628 1.9872 -0.1174 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6261 4.0328 0.6353 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9745 4.7655 -0.4733 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.4546 4.4844 -0.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8458 5.0077 -1.6421 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1322 6.2911 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5646 6.7983 -0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0124 6.9424 -1.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4735 7.0618 -1.9829 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2714 6.0221 -1.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8098 4.7770 -1.7236 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -9.5296 6.2220 -1.3228 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8145 3.6653 0.1993 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6006 2.9332 -0.2209 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.5798 3.9040 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4762 3.7459 -1.2759 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8498 2.0199 -1.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1706 0.3357 -1.1663 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6437 4.9258 0.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3656 6.1659 0.2041 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.9040 6.0806 0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5266 6.8924 1.1071 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7676 7.3355 1.0320 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.3245 6.8895 2.3186 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4347 7.9546 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5372 5.1866 -0.4119 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9711 5.0943 -0.6771 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.7288 4.2316 0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2841 4.7382 1.3398 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7286 6.4452 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0885 7.5882 -1.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7633 8.9423 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9380 9.3520 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6969 9.1731 1.0021 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 5.7977 2.8771 0.0962 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0440 2.2035 0.4807 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 7.2499 0.9194 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6522 0.9883 -1.5039 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3084 2.0292 1.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7246 2.0344 2.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9019 -0.2698 0.2388 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3089 -1.5868 -0.2555 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.8015 -2.5911 0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4220 -2.2283 1.9165 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8506 -1.6802 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.3933 -1.5342 -1.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.5585 -0.5479 -1.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.6419 -0.8391 -0.9019 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.5029 -1.8593 -0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.4981 -2.7488 -1.9430 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 13.4088 -1.9972 0.0267 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9871 -3.9328 0.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7735 -4.6752 0.0676 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 4.6588 -4.0261 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5170 -2.8022 -0.8747 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2219 -5.2074 1.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4549 -5.3666 2.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5960 -4.7211 1.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7749 -4.8939 -1.4095 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4080 -4.5036 -1.7780 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.5337 -4.6303 -0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9892 -4.4553 0.6428 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0228 -5.5081 -2.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2547 -6.3828 -3.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0375 -6.2635 -1.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2108 -4.9710 -0.6787 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6933 -5.4025 0.4062 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.3647 -4.1865 1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9760 -4.2539 2.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1194 -6.4859 1.3610 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.6762 -7.6008 0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2169 -7.1373 2.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1010 -8.3847 -0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4909 -3.0719 0.2873 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8233 -2.4726 0.1538 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.6194 -3.4200 -0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0518 -4.1077 -1.6232 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7912 -1.0510 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6812 -0.8656 -1.8834 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9768 -3.4665 -0.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8776 -4.1766 -1.4827 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.3653 -3.7756 -1.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1287 -3.9381 -2.3063 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6725 -5.7069 -1.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0943 -6.5390 -0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2781 -6.6538 0.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3339 -7.2024 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7222 -7.3836 1.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7700 -7.9289 0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9694 -8.0052 1.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8263 -3.2360 -0.1541 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1620 -2.6406 -0.0859 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -8.9799 -1.1805 0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6050 -0.8913 1.5082 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.8835 -3.4806 0.9584 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7871 -3.9016 1.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4701 -3.7419 1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1320 -0.2441 -0.6157 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9703 1.2011 -0.3990 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.4591 1.5341 -0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7420 1.6532 -1.2564 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.8757 1.7509 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.8382 3.2583 0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.6280 3.7932 -0.4736 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -9.9974 3.8528 1.7588 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9084 0.6268 1.1639 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7074 2.3021 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3883 4.4950 1.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4791 4.4318 -1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7723 6.5700 0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4981 6.8301 -1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6430 7.7872 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2523 6.1560 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5815 7.8501 -2.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7010 6.1082 -2.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9154 7.9516 -2.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4759 4.0732 -1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9463 4.4629 -2.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.9952 5.3792 -0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.9692 7.1118 -1.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4658 3.0799 0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3325 2.3390 0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3979 2.4220 -2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9203 1.9254 -1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2052 5.0284 1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2444 6.4043 -0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4960 8.1419 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0577 6.4011 2.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2211 7.2125 0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1486 8.3835 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8796 8.7515 0.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9361 4.5156 -0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0649 4.6104 -1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9041 6.7789 0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7326 6.2568 -1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1493 7.3660 -2.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0251 7.6849 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1804 9.7169 -1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7551 8.9415 -1.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7146 8.7639 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1991 10.4081 0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4079 8.1732 1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8981 9.6795 0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8182 9.4737 1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3967 2.5608 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8435 2.8671 0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8740 2.8298 2.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9067 1.1001 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.9665 2.9662 2.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4091 -0.2938 1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8203 -1.7712 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2972 -0.9271 0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2114 -2.6433 0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6113 -1.2176 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.7264 -2.5234 -2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.2087 0.4660 -1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.9843 -0.5165 -2.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.7413 -0.1928 -0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.1234 -3.5413 -1.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.8794 -2.6307 -2.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 14.0874 -2.7520 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.4931 -1.3248 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1720 -5.5191 -0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5306 -4.4869 1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6789 -6.1488 1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2989 -4.8616 3.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6698 -6.4167 2.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2472 -4.1207 2.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2095 -5.4956 1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3747 -3.4625 -2.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7540 -4.9871 -3.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1800 -6.1545 -2.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0010 -7.4205 -3.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8400 -5.9802 -3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6494 -6.9296 -1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0977 -6.4630 -1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 83195 1 0 |
| 84196 1 6 |
| 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 |
|
|
| $$$$ |
|
|
