Datasets:

PDBbind_test / 5zk5 /5zk5_input_conf_1.sdf
linbc20's picture
Add batch 1
fc81212 verified
5zk5_ligand
RDKit 3D
246247 0 0 0 0 0 0 0 0999 V2000
-2.1020 7.7526 3.6337 N 0 0 0 0 0 4 0 0 0 0 0 0
-0.8847 6.9073 3.3388 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3626 7.2799 1.9373 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9994 8.0977 1.2645 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2988 5.4477 3.4207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7899 6.6773 1.4905 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2842 6.9343 0.1335 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0405 5.7468 -0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7514 5.8973 -1.4756 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1525 8.2126 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5158 8.1025 0.6971 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5096 9.1751 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8435 9.2877 -1.1736 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1430 8.3688 -2.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0114 7.0725 -1.9347 N 0 0 0 0 0 4 0 0 0 0 0 0
5.6054 8.7918 -3.2988 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8257 4.5058 0.0898 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1779 3.3050 -0.6979 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6857 3.1967 -1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0882 2.6028 -2.0541 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3318 3.1469 -1.9918 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1519 3.3007 -1.7207 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7978 4.5088 -2.0149 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8802 2.2621 -1.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1334 4.6993 -1.6741 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2265 2.4378 -0.7934 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8331 3.6652 -1.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1278 3.9065 -0.7087 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5853 3.6654 -0.0972 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0307 3.4645 -0.3492 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8686 3.7167 0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9444 4.3131 0.8866 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6172 4.3522 -1.4822 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7282 4.6151 -2.5794 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3887 3.1482 2.0946 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2961 3.0805 3.2643 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8119 1.9468 4.2042 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7634 2.0274 5.4215 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5721 4.4692 3.8948 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8352 4.9113 5.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3206 5.0112 5.0222 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6020 4.4202 6.1560 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8315 4.5892 7.4675 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5915 5.6017 7.9153 N 0 0 0 0 0 4 0 0 0 0 0 0
4.2897 3.7837 8.3616 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5127 0.7809 3.5244 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8883 -0.3520 4.1962 C 0 0 2 0 0 0 0 0 0 0 0 0
6.1427 -1.6214 3.3437 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4319 -1.5258 2.1477 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3602 -0.1202 4.2775 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8179 0.0723 5.6906 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4637 1.4952 6.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2857 2.3609 5.1455 O 0 0 0 0 0 1 0 0 0 0 0 0
3.3854 1.7493 7.2935 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8455 -2.8169 3.9754 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8248 -4.0867 3.2173 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5504 -4.0422 2.3206 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4766 -4.6236 1.2472 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7299 -5.2887 4.1673 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9159 -6.6362 3.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3343 -6.8504 2.9936 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2643 -6.1112 3.2830 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5274 -7.9486 2.2116 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4859 -3.4152 2.9295 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3851 -2.7794 2.2202 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2342 -3.7121 1.7842 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 -4.9355 1.8746 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8453 -1.6954 1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6056 -1.8630 -0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2008 -0.6478 -1.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1790 -3.1289 -0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1208 -3.0198 1.3604 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 -3.6662 0.6848 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3365 -2.7482 -0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1536 -1.5304 -0.4339 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1652 -3.9661 1.6212 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9901 -2.7785 2.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0310 -3.3144 3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1771 -1.6907 2.8634 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4821 -3.7102 -3.9424 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8115 -3.3908 -1.6258 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1835 -3.9041 -5.1147 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6866 -2.7739 -2.9784 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2006 -2.7122 -3.3851 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6185 -1.9803 -4.9678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9509 -1.2084 -6.2319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1305 -1.8748 -4.6242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3808 -1.4010 -3.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6830 -4.1617 -3.4039 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7672 -4.6315 -4.2906 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.9906 -3.7874 -3.8766 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0640 -4.2486 -3.5098 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0027 -6.1383 -4.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7319 -6.7463 -5.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1267 -6.8842 -5.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0217 -7.1582 -6.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7966 -7.4273 -6.3749 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6881 -7.7038 -7.5148 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0722 -7.8390 -7.4982 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7263 -2.4202 -3.8226 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7860 -1.4264 -3.5649 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.4518 -1.5723 -2.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4451 -0.9378 -1.8116 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8333 -1.3658 -4.6852 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2585 -0.8372 -5.9950 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2759 -0.8823 -7.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1857 -1.6984 -7.1818 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0703 0.0170 -8.1164 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7787 -2.4058 -1.2737 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.5344 -3.0480 -0.2002 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.4624 -2.1537 1.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1464 -2.5606 2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9981 -4.4582 0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0648 -5.3052 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5910 -6.7040 1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6077 -6.6817 2.2804 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.4087 -7.7061 3.1354 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0422 -8.8777 2.9995 N 0 0 0 0 0 4 0 0 0 0 0 0
-5.5667 -7.5588 4.1582 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8742 8.7495 3.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4955 7.6170 4.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8355 7.5720 2.9316 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1343 7.1662 4.0887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0370 5.1994 2.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4405 4.7863 3.2672 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7362 5.2121 4.3966 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3796 6.1339 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 7.0796 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2986 8.4334 -1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6096 9.0769 0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9649 7.1183 0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3619 8.2060 1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4566 9.0488 0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1157 10.1547 0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9920 10.2415 -1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3253 6.3785 -2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3689 6.6420 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7574 9.7713 -3.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8067 8.1184 -4.0285 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9148 4.4371 0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9489 2.4658 -0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6475 3.8631 -2.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5124 2.1634 -2.4364 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2690 5.3106 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4049 1.3015 -0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6352 5.6305 -1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7686 1.6157 -0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5562 3.0660 -0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2628 3.4807 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1595 2.4088 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9111 5.3402 -1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5232 3.8900 -1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3358 3.7464 -2.8212 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8042 2.3305 1.9783 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2610 2.7236 2.8672 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6403 4.4965 4.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4346 5.2608 3.1444 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2107 5.9087 5.4214 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1200 4.2641 5.9977 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9732 4.4914 4.1283 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9850 6.0479 4.9258 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9062 3.6744 5.9390 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6903 5.7835 8.9081 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0242 6.2358 7.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8259 2.9094 8.0193 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5371 3.7758 9.3386 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9649 0.5859 2.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3546 -0.4934 5.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0593 0.6977 3.6129 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8419 -0.9949 3.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8935 -0.5128 5.7828 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5142 -0.3467 6.4273 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0932 -2.8713 4.9580 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7132 -4.1068 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4694 -5.1831 4.9711 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7524 -5.2823 4.6638 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6940 -7.4364 4.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2283 -6.7476 2.6251 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4743 -8.1498 1.9188 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8261 -8.6635 2.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7089 -3.0380 3.8423 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9151 -2.2142 3.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9005 -1.4683 1.3834 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3187 -0.7728 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5296 -1.8451 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9920 -0.6902 -2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2886 -0.6022 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7773 0.2819 -0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7251 -4.0284 -0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9840 -3.1566 -1.9983 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2643 -3.1767 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1805 -2.0110 1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6214 -4.6160 0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8512 -4.6360 1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7762 -4.5395 2.4757 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5330 -2.3164 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6766 -2.5092 3.5219 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6685 -4.0700 2.6886 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5485 -3.7758 4.0264 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4914 -2.1181 3.6044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5941 -1.1033 2.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8321 -0.9836 3.3825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6990 -4.4002 -1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1670 -3.7369 -3.5363 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3899 -2.3055 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8946 -3.0324 -5.0964 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2148 -1.5897 -4.1368 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0213 -1.2596 -6.4338 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4207 -1.6280 -7.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6653 -0.1577 -6.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1247 -0.8216 -4.4481 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4585 -2.2068 -5.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5747 -1.0929 -4.0626 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3457 -1.4157 -2.5054 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7741 -0.6183 -2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9579 -3.6689 -2.5691 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5233 -4.3810 -5.3292 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5436 -6.3463 -3.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0418 -6.6609 -4.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7148 -6.5597 -4.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9360 -7.0524 -6.4649 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8767 -7.5222 -6.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1263 -8.0224 -8.3943 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5942 -8.2558 -8.3537 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9935 -2.1215 -4.4572 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2612 -0.4672 -3.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6714 -0.7214 -4.3852 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2721 -2.3602 -4.8418 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4078 -1.4421 -6.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9022 0.1966 -5.8628 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7718 0.0376 -8.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5261 0.8603 -7.9810 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0722 -2.9553 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5833 -3.1055 -0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7782 -1.1084 0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0805 -4.4006 0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7199 -4.9668 -0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9227 -5.4041 0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4181 -4.7813 1.6996 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4760 -7.2680 1.5165 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1492 -7.2114 0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1313 -5.8129 2.4925 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9605 -9.6151 3.6883 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6508 -9.0550 2.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5053 -8.2779 4.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0481 -6.7065 4.3399 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 1 0
2 5 1 0
3 4 2 0
6 3 1 0
7 6 1 0
8 7 1 0
7 10 1 0
8 9 2 0
17 8 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 2 0
14 16 1 0
18 17 1 0
19 18 1 0
18 21 1 0
19 20 2 0
29 19 1 0
21 22 1 0
22 23 2 0
22 24 1 0
23 25 1 0
24 26 2 0
25 27 2 0
26 27 1 0
27 28 1 0
30 29 1 0
31 30 1 0
30 33 1 0
31 32 2 0
35 31 1 0
33 34 1 0
36 35 1 0
37 36 1 0
36 39 1 0
37 38 2 0
46 37 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
43 44 2 0
43 45 1 0
47 46 1 0
48 47 1 0
47 50 1 0
48 49 2 0
55 48 1 0
50 51 1 0
51 52 1 0
52 53 1 0
52 54 2 0
56 55 1 0
57 56 1 0
56 59 1 0
57 58 2 0
64 57 1 0
59 60 1 0
60 61 1 0
61 62 2 0
61 63 1 0
65 64 1 0
66 65 1 0
65 68 1 0
66 67 2 0
72 66 1 0
68 69 1 0
69 70 1 0
69 71 1 0
73 72 1 0
74 73 1 0
73 76 1 0
74 75 2 0
81 74 1 0
76 77 1 0
77 78 1 0
77 79 1 0
80 82 2 0
83 80 1 0
80 89 1 0
83 81 1 1
84 83 1 0
83 88 1 0
87 84 1 0
85 86 1 0
85 87 1 0
89 90 1 0
90 91 1 0
90 93 1 0
91 92 2 0
91100 1 0
93 94 1 0
94 95 2 0
94 96 1 0
95 97 1 0
96 98 2 0
97 99 2 0
98 99 1 0
100101 1 0
101102 1 0
101104 1 0
102103 2 0
102109 1 0
104105 1 0
105106 1 0
106107 2 0
106108 1 0
109110 1 0
110111 1 0
110113 1 0
111112 2 0
113114 1 0
114115 1 0
115116 1 0
116117 1 0
117118 2 0
117119 1 0
1120 1 0
1121 1 0
1122 1 0
2123 1 1
5124 1 0
5125 1 0
5126 1 0
6127 1 0
7128 1 6
10129 1 0
10130 1 0
11131 1 0
11132 1 0
12133 1 0
12134 1 0
13135 1 0
15136 1 0
15137 1 0
16138 1 0
16139 1 0
17140 1 0
18141 1 1
21142 1 0
21143 1 0
23144 1 0
24145 1 0
25146 1 0
26147 1 0
28148 1 0
29149 1 0
30150 1 6
33151 1 0
33152 1 0
34153 1 0
35154 1 0
36155 1 6
39156 1 0
39157 1 0
40158 1 0
40159 1 0
41160 1 0
41161 1 0
42162 1 0
44163 1 0
44164 1 0
45165 1 0
45166 1 0
46167 1 0
47168 1 1
50169 1 0
50170 1 0
51171 1 0
51172 1 0
55173 1 0
56174 1 6
59175 1 0
59176 1 0
60177 1 0
60178 1 0
63179 1 0
63180 1 0
64181 1 0
65182 1 1
68183 1 0
68184 1 0
69185 1 0
70186 1 0
70187 1 0
70188 1 0
71189 1 0
71190 1 0
71191 1 0
72192 1 0
73193 1 6
76194 1 0
76195 1 0
77196 1 0
78197 1 0
78198 1 0
78199 1 0
79200 1 0
79201 1 0
79202 1 0
81203 1 0
84204 1 0
84205 1 0
85206 1 0
85207 1 0
86208 1 0
86209 1 0
86210 1 0
87211 1 0
87212 1 0
88213 1 0
88214 1 0
88215 1 0
89216 1 0
90217 1 6
93218 1 0
93219 1 0
95220 1 0
96221 1 0
97222 1 0
98223 1 0
99224 1 0
100225 1 0
101226 1 1
104227 1 0
104228 1 0
105229 1 0
105230 1 0
108231 1 0
108232 1 0
109233 1 0
110234 1 6
111235 1 0
113236 1 0
113237 1 0
114238 1 0
114239 1 0
115240 1 0
115241 1 0
116242 1 0
118243 1 0
118244 1 0
119245 1 0
119246 1 0
M CHG 5 1 1 15 1 44 1 53 -1 118 1
M END
> <_TriposChargeType> (1)
GAST_HUCK
$$$$