| 5zml_ligand | |
| RDKit 3D | |
| 280282 0 0 0 0 0 0 0 0999 V2000 | |
| 1.5383 -5.1656 -4.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5096 -5.9249 -4.3029 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8207 -4.4873 -5.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0195 -4.9074 -2.8694 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5471 -5.5959 -1.6746 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.5680 -6.6362 -1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9372 -7.6321 -0.4804 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8921 -4.5525 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6921 -5.1219 0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7036 -4.1036 1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6202 -4.5200 2.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4090 -3.5893 4.0253 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -0.7693 -6.2608 -1.2074 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8371 -7.0973 -0.6722 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.2218 -6.5639 -1.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1372 -6.3501 -0.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7398 -7.1566 0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5647 -8.2636 1.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2089 -9.6968 1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8094 -10.0975 1.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4340 -11.3427 0.8538 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -3.3062 -6.2513 -2.4411 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3693 -5.4961 -3.1526 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.7202 -5.1812 -4.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7973 -5.8882 -4.9971 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7850 -4.1673 -2.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5550 -4.1520 -1.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6898 -5.1687 -0.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9703 -4.7875 -1.6385 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6891 -3.6568 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3212 -2.8066 -0.3352 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -9.7870 -3.3845 -2.0794 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2196 -4.1098 -5.2854 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6704 -3.8016 -6.6269 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.5491 -2.7297 -6.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4983 -2.9093 -7.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7780 -3.4410 -7.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7673 -2.3559 -7.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7841 -1.1072 -7.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7259 -2.6391 -6.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7323 -0.1468 -7.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6812 -1.6976 -5.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6920 -0.4593 -6.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6957 0.3827 -6.2187 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8808 -1.4738 -6.1163 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8095 -0.4676 -6.2543 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.7377 -0.5943 -5.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8675 -1.3871 -4.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3764 0.9747 -6.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1235 1.2985 -5.2013 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4357 0.1724 -5.2401 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6155 -0.1970 -4.4273 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.4173 0.8253 -3.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2770 0.3836 -2.8123 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6144 -0.9908 -5.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2543 -0.1333 -6.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4080 -0.8256 -7.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0016 -2.1106 -7.7012 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2074 -3.3539 -7.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8109 -3.6475 -5.9774 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 3.8752 -4.4514 -7.8984 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4442 4.5761 -3.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2687 2.1661 -3.7912 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1750 4.6164 -4.7203 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9338 3.2049 -2.9055 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 4.4972 3.1496 -3.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4791 1.7894 -1.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0053 1.8070 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3407 3.1858 -1.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3603 2.9873 -1.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3485 5.7538 -2.8351 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4972 6.2650 -1.4472 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 1.2074 7.1136 -1.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0368 8.2567 -1.6884 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7237 7.2019 -1.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0151 7.5743 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7599 8.8848 0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8416 9.7764 -0.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3682 9.0336 1.5829 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1557 6.5779 -0.5263 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0946 5.5124 0.4835 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.3692 5.0215 0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3441 5.7964 0.5966 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6734 5.9990 1.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0352 7.2252 2.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3580 6.9785 3.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9331 7.6458 3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5606 3.7192 1.0453 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7169 2.5333 0.1251 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.8832 1.2989 0.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6292 0.2806 -0.0598 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4924 2.7420 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7241 3.0363 -2.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3199 4.4260 -2.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8220 1.9721 -2.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5863 1.2903 4.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7168 1.2604 1.9873 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5125 1.8003 4.7138 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6795 1.1357 2.5489 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 1.5568 2.3334 2.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8304 1.2516 1.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2901 1.5625 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0828 2.3234 2.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2587 -0.2705 2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5740 0.8560 4.7028 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0021 1.7202 5.8079 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.0256 1.7713 6.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7592 0.7751 7.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3835 1.3725 6.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4588 1.4447 5.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8666 0.2604 4.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0300 2.6706 4.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7915 0.3125 3.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9532 2.7116 3.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3409 1.5371 3.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0928 2.9987 7.5613 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8456 3.2280 8.7934 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.0401 4.0430 9.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4791 4.6316 10.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2170 3.9462 8.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0308 4.0766 9.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5042 4.3291 9.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7700 5.7763 9.6793 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9277 6.5101 8.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5929 6.0936 7.3181 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 5.5260 7.7016 8.7000 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4010 3.9611 9.5526 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2495 4.2547 10.7317 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.3106 3.0140 11.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2662 2.2801 11.8170 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -3.6143 4.7880 10.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4374 2.8232 12.2778 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5081 -3.4798 -4.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0411 -5.0782 -5.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5211 -4.3781 -6.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3396 -4.1650 -2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4714 -6.1342 -1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4742 -3.7145 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9596 -4.1240 -0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7139 -5.3630 0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2565 -6.0505 0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0212 -3.1251 1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6757 -3.9938 2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6757 -4.4540 2.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4048 -5.5296 3.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4693 -3.6739 4.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0896 -3.7294 4.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5138 -2.6034 3.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0148 -5.6384 -1.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6799 -8.0880 -1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0429 -6.1779 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7100 -7.2548 1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4723 -8.1745 2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6273 -8.0933 1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9354 -10.3840 1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3511 -9.8090 0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0379 -9.3790 1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7810 -10.3152 2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1049 -12.1006 1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3797 -11.2048 -0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4957 -11.6822 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5419 -6.5908 -3.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2451 -6.1581 -3.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8787 -3.5347 -2.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4286 -3.5968 -3.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8406 -4.2386 -0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9339 -3.1323 -1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4190 -6.1607 -1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9222 -5.2943 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3520 -5.4306 -2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4764 -3.0862 0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.9400 -1.9635 -0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.3379 -4.0950 -2.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.0692 -2.4082 -2.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4450 -3.2719 -4.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1765 -4.7285 -6.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3152 -3.1702 -8.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -6.7308 -3.6004 -5.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7900 0.7768 -8.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.4433 -1.9100 -5.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.4029 1.3036 -6.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6207 -1.1320 -6.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2395 -0.6053 -7.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6002 1.7501 -6.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0626 1.0224 -7.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6865 2.0720 -5.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5596 0.7682 -6.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2371 -0.9058 -3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3978 -1.4094 -4.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1280 -1.8484 -5.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4984 0.1160 -7.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6058 0.8278 -5.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7502 -0.1514 -7.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2768 -0.9524 -6.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6762 -2.0543 -8.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7656 -4.6758 -5.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2991 -3.0111 -5.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2704 -4.4011 -8.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3415 -5.3518 -7.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6764 2.5300 -4.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8387 3.9977 -3.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8018 2.2839 -3.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5148 1.2984 -1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1192 1.1784 -1.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0758 1.9609 0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9133 3.9157 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3442 3.5787 -1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3612 3.4158 -1.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9529 3.4211 -0.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2556 1.9227 -1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0297 6.4763 -3.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5874 5.4231 -0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5994 6.6869 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5858 8.0905 -1.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5852 6.7639 0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0735 7.6597 0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6689 10.0281 1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0293 8.2579 1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6173 7.2346 -0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7299 4.7012 0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6610 5.1717 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7376 6.2353 1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0004 8.0683 1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5176 5.9111 3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1317 7.2850 2.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5425 7.5449 4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9459 7.9132 3.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0416 6.8278 4.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5171 8.5153 4.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4103 3.7594 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7482 2.2042 0.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -2.5393 5.1890 -2.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0443 4.6459 -2.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8239 4.4871 -1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4339 0.9840 -2.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2570 1.9075 -1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6429 2.2178 -2.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3338 0.5513 2.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3367 2.5847 1.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2045 3.2020 2.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7571 0.2729 1.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3574 1.1309 0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8181 1.5617 2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3884 2.2842 3.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4299 3.3053 1.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1029 -0.4491 2.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5943 -0.3947 1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5283 -1.0655 2.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3411 0.5916 4.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0570 2.7045 5.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3565 0.3612 6.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6480 2.0440 7.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4484 -0.6982 4.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7553 3.5990 5.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1006 -0.6142 3.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3976 3.6605 3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0766 1.5780 2.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5730 3.7333 7.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0673 2.2374 9.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7647 3.3686 7.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0033 4.9343 8.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6045 4.8911 10.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8699 3.1444 10.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9835 3.9680 10.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0223 3.7949 8.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7741 6.2784 10.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8651 5.3573 7.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9597 6.6964 6.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9984 8.1511 7.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7465 8.1228 9.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6985 3.1032 9.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7586 5.0749 11.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9148 5.6107 10.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6000 5.1833 9.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4105 4.0454 10.3558 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 | |
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| 6 5 1 0 | |
| 5 8 1 0 | |
| 6 7 2 0 | |
| 13 6 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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| M CHG 6 12 1 21 1 31 1 60 1 125 1 130 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |