| 5zml_ligand |
| RDKit 3D |
|
|
| 280282 0 0 0 0 0 0 0 0999 V2000 |
| -1.9095 10.3103 4.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6804 10.2434 4.7642 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6505 11.6177 4.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7307 9.2080 4.6213 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1390 7.9164 4.3063 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.9002 7.8858 2.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5414 8.5899 1.9922 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0571 6.7643 4.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2984 6.7406 6.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2306 5.5982 6.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4749 5.6059 8.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4259 4.5290 8.5389 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -0.9263 7.0152 2.3398 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5039 6.9942 0.9308 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.2009 5.8607 0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9604 5.6612 -1.0702 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0318 6.8817 0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6714 7.5187 -0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5745 9.0519 -0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2993 9.7975 0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3235 11.2468 0.3018 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -2.1262 5.1316 0.8188 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1139 4.2416 0.1934 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.2391 4.0685 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2399 4.7035 2.3011 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4915 2.9056 -0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8119 2.5246 -1.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0436 3.3531 -2.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1129 2.7188 -4.0701 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6904 3.2916 -5.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2892 4.5687 -5.2642 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -1.6571 2.5683 -6.3424 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2727 3.2346 0.8941 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5565 3.2371 1.6224 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.2801 1.8836 1.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4943 1.7380 1.5765 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4511 4.4286 1.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5991 4.5725 -0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7232 5.4021 -1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5861 3.8606 -0.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8049 5.4746 -2.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6807 3.9482 -2.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7785 4.7449 -3.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8162 4.8503 -4.4301 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4115 0.8295 1.3528 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8037 -0.5158 0.9285 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.4350 -1.5503 2.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1602 -1.2483 3.1933 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0977 -0.7612 -0.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7596 -0.2250 -0.3984 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4763 -2.8805 1.6357 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5780 -3.8366 2.3164 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.1331 -3.4608 1.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8865 -2.3484 1.3536 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0445 -5.2586 1.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7073 -6.3487 2.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5010 -6.2610 4.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9455 -6.4639 4.0469 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9331 -5.6202 4.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7040 -4.3898 4.8531 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -10.2026 -6.0232 4.2537 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0820 -4.1876 -0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1617 -4.4328 2.0018 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9832 -4.9145 -0.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7719 -4.2647 1.4351 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -0.9943 -5.5533 1.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4848 -5.4863 1.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5541 -6.4359 0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0939 -6.1271 0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1307 -3.0539 2.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4635 -3.3720 -0.9776 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2837 -2.4997 -0.9318 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.6541 -1.0251 -0.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8135 -0.6159 -0.5757 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4254 -2.4739 -2.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5510 -3.8317 -3.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6987 -4.2090 -3.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7269 -3.5324 -3.7746 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6234 -5.3888 -4.4481 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3527 -0.0863 -0.5177 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3453 0.0006 0.5760 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.2163 -1.2609 0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0480 -2.0924 1.5986 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6544 0.3598 1.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6102 0.8311 3.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8283 0.9986 4.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3058 2.1493 2.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0941 -1.5975 -0.2882 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3353 -0.8819 -0.6086 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.1986 -0.8441 0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9677 -0.0084 1.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2138 0.5363 -1.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3497 0.6910 -2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3076 2.1685 -2.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8550 -0.1575 -3.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4153 -2.7763 -1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2005 -1.7372 0.9085 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9811 -3.6827 -1.6923 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6595 -3.0105 0.2686 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 5.5124 -4.0677 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6457 -5.0888 -1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4661 -6.2702 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0402 -4.4476 -1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7480 -3.5882 1.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3477 -1.4932 -1.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0335 -1.0058 -2.7939 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 7.6320 -1.6236 -4.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3991 -0.9029 -5.1252 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.5645 -0.9471 -2.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.9726 0.3068 -1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.1444 1.5058 -2.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.1270 0.3059 -0.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.4680 2.6866 -1.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.4464 1.4907 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.6232 2.6783 -0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6754 -2.9941 -4.2498 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0700 -3.6729 -5.3953 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.5197 -3.6394 -5.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9210 -3.2741 -4.2741 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5999 -5.1121 -5.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7683 -5.9258 -4.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4765 -7.4158 -4.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0376 -7.6379 -4.6058 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3408 -8.6871 -4.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9178 -9.7825 -3.6831 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 4.0090 -8.6267 -4.2035 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8621 -4.0123 -6.4508 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4103 -4.2833 -6.4133 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 3.0433 -5.5812 -5.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0114 -6.3450 -5.3093 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 2.8859 -4.4614 -7.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8183 -5.7850 -5.3949 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7300 11.4896 4.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4498 12.0234 5.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2999 12.3109 4.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6296 9.3992 4.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1684 7.8299 4.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6116 5.8104 4.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0181 6.8422 4.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3386 6.6392 6.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7405 7.6907 6.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1867 5.6932 6.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7900 4.6374 6.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5531 5.4146 8.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9214 6.5475 8.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0932 3.6002 8.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3514 4.6802 8.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5699 4.4884 9.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4647 6.4047 3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8387 7.9268 0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4904 7.3329 1.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3098 5.8142 0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7313 7.2434 -0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2306 7.0783 -1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0087 9.3448 -1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5214 9.3664 -0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7947 9.6918 1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3416 9.4827 0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8406 11.4488 -0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3787 11.6464 0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7858 11.7811 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4208 5.5325 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5421 4.7902 -0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4040 2.9141 -0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8693 2.0881 0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5438 1.4727 -1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8887 2.5953 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9883 3.3988 -2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4853 4.3546 -2.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4305 1.7568 -4.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9284 4.9837 -6.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4249 5.1882 -4.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8320 1.5707 -6.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4629 2.9984 -7.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3179 2.8956 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3275 3.3380 2.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0162 5.3603 1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4436 4.3465 1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9729 5.9961 -0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.2977 3.2334 -0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1329 6.1184 -2.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.4544 3.3889 -2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6729 4.5040 -4.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4157 1.0226 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8823 -0.5817 0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6296 -0.1939 -1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0453 -1.7978 -0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1702 -0.9074 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5805 -3.0633 0.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6223 -3.6619 3.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1333 -5.2632 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6090 -5.5293 0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9177 -7.3230 2.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6427 -6.3338 3.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1733 -7.0735 4.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3203 -5.3312 4.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2256 -7.3724 3.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.4726 -3.7933 5.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7949 -3.9660 4.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.4409 -6.9296 3.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.9791 -5.4375 4.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5185 -5.3561 1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5585 -5.4155 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7164 -6.3771 1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6894 -5.2436 2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5078 -4.5477 0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5885 -7.3785 1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2311 -6.1312 -0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1893 -7.1919 1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5066 -2.1091 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0540 -3.0712 1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3290 -3.0396 3.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9506 -3.3806 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3914 -2.8871 -0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0991 -1.7741 -2.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4277 -2.0662 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7798 -4.6232 -2.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3795 -3.7793 -3.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3087 -5.6614 -4.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3781 -5.6108 -5.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0974 0.8154 -0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9802 0.8402 0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0860 1.1476 1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0933 -0.5063 2.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3779 0.0649 3.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5033 1.2166 5.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2784 0.0811 4.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1028 1.8177 4.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5787 2.9034 2.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8548 2.5455 3.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0285 2.0121 1.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3180 -2.5659 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8294 -1.5012 -1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8587 1.2285 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2299 0.8892 -1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3228 0.3806 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8956 2.7783 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6773 2.3115 -3.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3107 2.5426 -3.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2922 0.0572 -4.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9145 0.0264 -3.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7197 -1.2202 -3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5629 -1.5787 1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8456 -4.9978 0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6700 -3.7395 0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4755 -5.4195 -2.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8910 -4.3221 -1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1454 -7.0920 -0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0227 -3.5656 -1.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7650 -5.1455 -1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3341 -3.7780 2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5837 -2.8888 1.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1569 -4.5287 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2545 -0.7905 -0.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6433 0.0238 -2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.9539 -1.8312 -2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.0581 -0.9432 -3.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.0336 1.5272 -3.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.0065 -0.6088 0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.6121 3.6069 -2.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.5783 1.4911 1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.8959 3.5905 -0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7057 -3.4876 -3.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3119 -3.0948 -6.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5900 -5.0400 -6.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9785 -5.6602 -6.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1389 -5.5501 -3.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8103 -5.8223 -3.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9818 -7.8173 -5.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8351 -7.9469 -3.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4105 -6.8894 -4.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3534 -10.5415 -3.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9197 -9.8993 -3.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3513 -9.3313 -3.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6311 -7.7647 -4.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3793 -4.5930 -7.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9154 -3.4305 -5.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7976 -4.6242 -7.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3657 -5.3058 -8.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0964 -3.5613 -8.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 1 3 1 0 |
| 4 1 1 0 |
| 5 4 1 0 |
| 6 5 1 0 |
| 5 8 1 0 |
| 6 7 2 0 |
| 13 6 1 0 |
| 8 9 1 0 |
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| 11 12 1 0 |
| 14 13 1 0 |
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| 22 15 1 0 |
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| 30 31 2 0 |
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| 35 34 1 0 |
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| 35 36 2 0 |
| 45 35 1 0 |
| 37 38 1 0 |
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| 42 43 1 0 |
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| 47 48 2 0 |
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| 63 53 1 0 |
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| 106255 1 6 |
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| 111258 1 0 |
| 112259 1 0 |
| 113260 1 0 |
| 114261 1 0 |
| 115262 1 0 |
| 116263 1 0 |
| 117264 1 6 |
| 120265 1 0 |
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| 126274 1 0 |
| 126275 1 0 |
| 127276 1 0 |
| 128277 1 1 |
| 131278 1 0 |
| 131279 1 0 |
| 131280 1 0 |
| M CHG 6 12 1 21 1 31 1 60 1 125 1 130 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
