0 mol 4 unq 0 iso 0 dist 8.15534 5.12159 6.12485 7.58769 6.21697 6.86951 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 7.58769 5.12159 6.86951 8.15534 6.21697 6.12485 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 7.68446 13.7296 8.15864 16.9813 10.1259 6.6051 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 9.27422 8.44709 7.50258 12.6954 7.34641 5.36278 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.5663 12.0987 5.66803 20.6337 12.1186 8.85416 numMergedOcc 0
5 mol 87 unq 0 iso 0 dist 8.21588 5.34066 5.62336 6.62798 5.38943 5.63748 numMergedOcc 0
6 mol 87 unq 1 iso 0 dist 6.62798 10.7803 9.90256 11.2078 6.69898 7.57471 numMergedOcc 0
7 mol 87 unq 2 iso 0 dist 6.62798 5.34066 5.63748 8.21588 5.38943 5.62336 numMergedOcc 0
8 mol 87 unq 3 iso 0 dist 8.15104 5.22028 5.62336 9.94718 5.38943 5.63748 numMergedOcc 0
9 mol 87 unq 4 iso 0 dist 9.94718 13.2349 9.90256 14.8798 6.69898 7.57471 numMergedOcc 0
10 mol 87 unq 5 iso 0 dist 9.94718 5.22028 5.63748 8.15104 5.38943 5.62336 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 7.95136 5.29804 7.66418 5.8915 6.73664 8.078 numMergedOcc 0
12 mol 103 unq 1 iso 0 dist 5.8915 5.29804 8.078 7.95136 6.73664 7.66418 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 6.79014 5.41029 6.54778 12.5402 8.36743 8.57909 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 9.18707 5.31483 9.67606 5.91786 5.54133 9.41083 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 5.91786 5.31483 9.41083 9.18707 5.54133 9.67606 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 5.33659 5.34994 6.08846 10.5852 7.88461 9.19171 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 7.47105 11.193 9.2759 16.1349 12.1681 5.79195 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 7.47105 11.193 9.2759 12.4593 11.2107 8.76088 numMergedOcc 0
19 mol 139 unq 0 iso 0 dist 7.83417 7.11333 8.78382 10.7751 9.781 9.70154 numMergedOcc 0
20 mol 148 unq 0 iso 0 dist 6.4413 9.68187 9.18753 14.0399 10.8037 8.6953 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 6.62609 9.76535 9.15244 14.2346 10.8647 8.65967 numMergedOcc 0
22 mol 182 unq 0 iso 0 dist 8.21538 6.04551 8.85111 12.9886 9.61687 8.27913 numMergedOcc 0
23 mol 182 unq 1 iso 0 dist 8.21538 6.04551 8.85111 5.63632 9.71185 6.38335 numMergedOcc 0
24 mol 182 unq 2 iso 0 dist 5.63632 6.04551 6.38335 12.9886 11.427 8.27913 numMergedOcc 0
25 mol 182 unq 3 iso 0 dist 5.63632 6.04551 6.38335 8.21538 9.71185 8.85111 numMergedOcc 0
26 mol 189 unq 0 iso 0 dist 9.36549 9.94975 7.54658 16.7787 8.91303 9.95686 numMergedOcc 0
27 mol 189 unq 1 iso 0 dist 8.01521 9.29575 6.38294 15.755 8.74557 9.47321 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 9.32133 9.09362 6.62514 12.9848 8.63339 6.20044 numMergedOcc 0
29 mol 204 unq 1 iso 0 dist 9.32133 9.09362 6.62514 15.6687 7.41625 9.41996 numMergedOcc 0
30 mol 204 unq 2 iso 0 dist 6.58174 10.9794 6.20044 15.0667 8.63339 6.62514 numMergedOcc 0
31 mol 204 unq 3 iso 0 dist 6.58174 10.9794 6.20044 16.9923 11.09 9.41996 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 7.24175 11.0439 5.86911 16.1156 8.94237 7.82201 numMergedOcc 0
33 mol 220 unq 0 iso 0 dist 5.60195 12.9073 8.57174 16.758 12.1405 6.80214 numMergedOcc 0
34 mol 220 unq 1 iso 0 dist 7.87359 15.2936 8.57174 17.272 12.1405 6.80214 numMergedOcc 0
35 mol 236 unq 0 iso 0 dist 5.46484 5.81446 7.74348 14.2393 15.386 8.63249 numMergedOcc 0
36 mol 236 unq 1 iso 0 dist 8.80671 14.8289 7.74348 22.3246 15.386 8.63249 numMergedOcc 0
37 mol 245 unq 0 iso 0 dist 8.03294 15.5115 7.95061 23.2766 15.2703 9.5096 numMergedOcc 0
38 mol 261 unq 0 iso 0 dist 6.93654 6.94755 6.0437 9.66298 4.70691 4.85199 numMergedOcc 0
39 mol 261 unq 1 iso 0 dist 6.93654 6.94755 6.0437 15.0007 9.51335 9.13604 numMergedOcc 0
40 mol 261 unq 2 iso 0 dist 9.66298 6.94755 4.85199 6.93654 4.70691 6.0437 numMergedOcc 0
41 mol 261 unq 3 iso 0 dist 9.66298 6.94755 4.85199 15.0007 6.43452 9.13604 numMergedOcc 0
42 mol 261 unq 4 iso 0 dist 9.66298 17.3605 9.72159 15.0007 6.43452 6.89731 numMergedOcc 0
43 mol 266 unq 0 iso 0 dist 7.72433 5.86368 6.57444 13.8533 13.1611 9.39714 numMergedOcc 0
44 mol 266 unq 1 iso 0 dist 7.72433 4.95934 7.9555 9.46926 6.70676 8.8646 numMergedOcc 0
45 mol 266 unq 2 iso 0 dist 9.46926 4.95934 8.8646 7.72433 6.70676 7.9555 numMergedOcc 0
46 mol 287 unq 0 iso 0 dist 4.98604 5.51191 6.45597 10.1896 5.69849 9.18785 numMergedOcc 0
47 mol 288 unq 0 iso 0 dist 4.98604 5.51191 6.45597 10.1896 5.69849 9.18785 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 4.98604 5.51191 6.45597 10.1896 5.69849 9.18785 numMergedOcc 0
