| 5zk9_ligand |
| RDKit 3D |
|
|
| 263264 0 0 0 0 0 0 0 0999 V2000 |
| 0.8904 8.8886 -2.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0495 9.0419 -1.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3739 10.0204 -3.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5176 7.6792 -2.5291 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1005 6.4189 -1.9109 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.1824 5.8783 -2.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0062 6.5705 -3.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0051 6.4592 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3505 6.8975 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2212 7.9832 1.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5593 8.4061 1.7508 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8314 9.0550 2.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8755 9.4045 3.7530 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 5.0932 9.3670 3.1982 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3713 4.5146 -2.5302 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1173 3.8370 -3.6153 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.2194 2.9104 -3.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7116 3.2174 -1.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1542 3.2763 -4.6977 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.8861 2.2955 -4.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5364 4.4297 -5.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8037 1.7032 -5.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7329 1.9302 -3.8179 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9286 1.1051 -3.4927 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.4970 -0.3030 -2.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4521 -0.4508 -2.3141 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9306 1.2731 -4.6666 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.3857 0.9556 -4.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5064 0.5311 -5.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3815 1.7435 -5.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4002 -1.3405 -3.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3130 -2.5886 -2.2662 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.4586 -3.7177 -2.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6252 -4.0629 -4.0848 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7445 -3.1395 -2.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8966 -4.3077 -1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7248 -5.6200 -1.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1713 -4.1139 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7927 -6.7134 -0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2671 -5.2177 1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0525 -6.4957 0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1071 -7.5697 1.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6116 -4.3673 -2.0372 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1196 -5.7484 -2.2140 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.5382 -6.1923 -0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2324 -6.2641 0.1885 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2202 -6.0075 -3.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1655 -5.7047 -3.2461 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1901 -6.4659 -0.7829 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5448 -6.6366 0.4662 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.3241 -5.3766 0.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7194 -4.4635 1.4807 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3981 -7.9167 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5760 -9.2168 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3408 -9.4793 1.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5183 -8.6070 1.6183 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1456 -8.1865 2.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9101 -8.7521 3.9123 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -2.9654 -7.1381 2.6509 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7576 -3.1206 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6823 -5.3621 0.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3585 -2.0751 0.4621 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6734 -4.3625 1.1901 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 5.1066 -5.0476 1.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6645 -3.3221 2.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9315 -2.8799 3.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0917 -4.7331 2.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3246 -4.0480 2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2936 -3.3826 -1.0434 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8389 -2.6937 -2.2052 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 3.3340 -1.2442 -2.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9852 -0.4398 -3.1168 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7702 -3.6644 -3.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1838 -3.0804 -4.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6802 -2.9137 -4.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4884 -3.3216 -4.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0847 -2.2978 -6.0527 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0950 -0.7704 -2.0744 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7935 -1.3533 -2.4420 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.3193 -2.3026 -1.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1089 -3.4422 -1.5973 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8317 -1.9734 -3.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4841 -2.1069 -4.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9414 -0.7832 -5.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2850 -3.0781 -5.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1840 -1.9136 -0.0397 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0468 -0.6007 0.6093 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.9931 -0.6300 1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7587 -1.5800 2.0129 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4401 -0.3371 0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2529 -1.5308 1.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7862 -1.9661 2.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7409 -1.1778 1.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6220 1.6621 4.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9475 0.4372 2.7351 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3136 1.9043 5.8259 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8184 0.3892 3.9607 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 3.3480 0.3670 3.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6596 -0.6471 3.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4752 -1.7620 4.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2160 -0.6481 4.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3366 -0.7536 4.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5710 2.5010 4.4694 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4095 3.7611 5.2424 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.0780 4.1112 5.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4862 4.7468 6.3993 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1966 4.8580 4.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5079 6.1882 5.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1105 6.0086 6.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3241 7.1518 5.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8771 3.8072 4.3621 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3296 4.0204 4.4309 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.0741 2.6888 4.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2570 2.6432 5.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8214 4.4957 3.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2275 5.8394 2.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6625 6.2776 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2874 5.2543 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4995 5.8002 -1.2055 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -3.4011 1.5463 4.2964 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8462 10.7950 -2.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5255 10.4364 -3.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1064 9.6849 -3.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9394 7.6140 -3.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9076 5.7012 -2.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1888 7.1243 -0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7332 5.4684 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8257 6.0129 0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0609 7.2416 -0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6928 8.8509 0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6799 7.5565 2.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3472 8.1687 1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9032 9.2262 3.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0796 9.9577 4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8622 9.2252 2.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3436 9.7367 4.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2628 3.9171 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7180 4.5989 -4.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7385 2.7315 -5.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3658 1.4758 -3.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5145 2.7728 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9922 4.0638 -6.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1757 5.2039 -5.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3257 4.8845 -4.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5434 2.4360 -5.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3471 0.8513 -4.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2325 1.3762 -6.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2548 1.6901 -4.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3931 1.5947 -2.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9013 2.3434 -4.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5658 1.2179 -3.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5970 -0.1169 -4.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1915 0.7466 -6.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4979 -0.5567 -5.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5117 0.8260 -6.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4043 1.5854 -4.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3401 1.4360 -6.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1810 2.8200 -5.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0359 -1.3755 -3.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8901 -2.3249 -1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4185 -2.3431 -1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1381 -3.4341 -3.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5107 -5.7976 -2.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3369 -3.1191 0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6549 -7.7174 -1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4959 -5.0594 2.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0504 -7.6584 1.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1383 -3.8182 -1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0178 -6.3606 -2.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2526 -7.0760 -3.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5769 -5.4656 -4.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5314 -5.5619 -4.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3539 -6.2488 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1554 -6.7538 1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0225 -7.9495 1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0825 -7.8903 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0108 -9.2299 -0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2912 -10.0398 0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2431 -9.3446 2.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6984 -10.5102 1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7841 -8.0914 0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3278 -9.5819 3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3478 -8.3963 4.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2870 -6.6423 3.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1528 -6.7141 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0315 -5.9060 -0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6020 -4.8512 0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9563 -6.1455 1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0040 -2.6182 1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6065 -3.2911 1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5301 -3.5703 4.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9233 -5.4431 2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6022 -5.0067 3.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3365 -3.6265 2.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0143 -3.3267 3.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3520 -4.9530 3.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3543 -3.7794 -1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9011 -2.5510 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4043 -4.5203 -3.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7655 -4.0917 -3.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6892 -2.1326 -4.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8464 -3.7715 -5.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5586 -1.4828 -6.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1005 -2.2855 -6.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1281 0.2151 -2.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1061 -0.5063 -2.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5417 -1.4188 -4.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2237 -2.9799 -3.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2548 -2.4924 -3.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9995 -0.0163 -4.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2631 -0.4215 -6.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9310 -0.8911 -5.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4671 -2.6943 -6.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2158 -3.2293 -6.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0621 -4.0587 -5.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1217 -2.7121 0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3922 0.1829 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5412 0.5237 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9426 -0.0197 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1676 -2.3925 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4510 -2.7275 3.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7884 -2.4099 2.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7579 -1.1187 3.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9363 -0.3571 2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3327 -2.0458 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1037 -0.8702 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0242 0.8197 2.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7819 1.3696 3.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4522 0.1653 2.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6534 -0.6963 2.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1302 0.3072 4.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7500 -1.6186 5.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7887 -1.6384 4.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 1.4768 -1.7439 4.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2643 -0.6412 5.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 0.4725 2.5904 3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8275 3.6159 6.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1658 4.4259 4.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7112 5.0598 3.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2785 6.6761 4.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3826 5.6308 7.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9569 5.3103 6.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4862 6.9694 6.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6764 8.1618 5.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1893 7.2052 4.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3978 6.8811 6.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5815 3.0307 3.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6030 4.7523 5.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5847 3.7288 2.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9175 4.5789 3.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1324 5.7939 2.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5371 6.5988 3.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7470 6.4324 1.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1927 7.2463 1.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9157 4.3683 0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2309 4.9753 0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4514 6.1508 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8351 6.5432 -1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3237 5.0309 -1.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6463 1.2794 4.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1290 0.8317 4.2393 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 |
| 15 6 1 0 |
| 8 9 1 0 |
| 9 10 1 0 |
| 10 11 1 0 |
| 11 12 1 0 |
| 12 13 2 0 |
| 12 14 1 0 |
| 16 15 1 0 |
| 17 16 1 0 |
| 16 19 1 0 |
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| M CHG 3 13 1 58 1 119 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
