0 mol 20 unq 0 iso 0 dist 8.45034 12.5691 6.29237 16.0182 9.24286 3.49913 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 8.45034 16.0182 9.24286 12.5691 6.29237 3.49913 numMergedOcc 0
2 mol 31 unq 0 iso 0 dist 9.45832 6.02138 9.68684 3.71798 7.13127 3.64648 numMergedOcc 0
3 mol 31 unq 0 iso 1 dist 9.45832 3.71798 7.13127 6.02138 9.68684 3.64648 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 6.22059 3.71228 7.1229 7.58448 9.36388 10.1134 numMergedOcc 0
5 mol 81 unq 0 iso 1 dist 6.22059 7.58448 9.36388 3.71228 7.1229 10.1134 numMergedOcc 0
6 mol 107 unq 0 iso 0 dist 8.83855 6.31693 6.71858 13.1278 9.37159 7.4799 numMergedOcc 0
7 mol 107 unq 0 iso 1 dist 8.83855 13.1278 9.37159 6.31693 6.71858 7.4799 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 9.43487 13.1684 6.41507 8.60362 6.03035 5.05513 numMergedOcc 0
9 mol 113 unq 0 iso 1 dist 9.43487 8.60362 6.03035 13.1684 6.41507 5.05513 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 9.97052 9.20774 6.41507 5.56591 6.03035 5.05513 numMergedOcc 0
11 mol 113 unq 1 iso 1 dist 9.97052 5.56591 6.03035 9.20774 6.41507 5.05513 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 7.3324 10.6893 6.41507 12.0012 6.03035 5.05513 numMergedOcc 0
13 mol 113 unq 2 iso 1 dist 7.3324 12.0012 6.03035 10.6893 6.41507 5.05513 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 7.46162 10.9515 9.40295 11.5395 9.49225 4.97254 numMergedOcc 0
15 mol 119 unq 0 iso 1 dist 7.46162 11.5395 9.49225 10.9515 9.40295 4.97254 numMergedOcc 0
16 mol 154 unq 0 iso 0 dist 9.19804 5.58226 9.11555 3.781 8.88053 5.55204 numMergedOcc 0
17 mol 154 unq 0 iso 1 dist 9.19804 3.781 8.88053 5.58226 9.11555 5.55204 numMergedOcc 0
18 mol 158 unq 0 iso 0 dist 9.18848 6.34731 8.41697 15.1374 9.2016 10.0033 numMergedOcc 0
19 mol 158 unq 0 iso 1 dist 9.18848 15.1374 9.2016 6.34731 8.41697 10.0033 numMergedOcc 0
20 mol 219 unq 0 iso 0 dist 8.15287 8.72864 6.44817 12.8837 9.36547 14.0465 numMergedOcc 0
21 mol 219 unq 0 iso 1 dist 8.15287 12.8837 9.36547 8.72864 6.44817 14.0465 numMergedOcc 0
22 mol 219 unq 1 iso 0 dist 8.72341 12.6546 6.44817 8.54055 9.36547 14.0465 numMergedOcc 0
23 mol 219 unq 1 iso 1 dist 8.72341 8.54055 9.36547 12.6546 6.44817 14.0465 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 7.81415 3.77125 8.47034 8.36144 8.57491 10.548 numMergedOcc 0
25 mol 283 unq 0 iso 1 dist 7.81415 8.36144 8.57491 3.77125 8.47034 10.548 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 6.08044 10.8556 9.62446 10.4719 9.99681 13.523 numMergedOcc 0
27 mol 287 unq 0 iso 1 dist 6.08044 10.4719 9.99681 10.8556 9.62446 13.523 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 8.8956 12.7029 9.62446 5.57075 9.99681 13.523 numMergedOcc 0
29 mol 287 unq 1 iso 1 dist 8.8956 5.57075 9.99681 12.7029 9.62446 13.523 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 6.08044 10.8556 9.62446 10.4719 9.99681 13.523 numMergedOcc 0
31 mol 288 unq 0 iso 1 dist 6.08044 10.4719 9.99681 10.8556 9.62446 13.523 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 8.8956 12.7029 9.62446 5.57075 9.99681 13.523 numMergedOcc 0
33 mol 288 unq 1 iso 1 dist 8.8956 5.57075 9.99681 12.7029 9.62446 13.523 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 6.08044 10.8556 9.62446 10.4719 9.99681 13.523 numMergedOcc 0
35 mol 289 unq 0 iso 1 dist 6.08044 10.4719 9.99681 10.8556 9.62446 13.523 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 8.8956 12.7029 9.62446 5.57075 9.99681 13.523 numMergedOcc 0
37 mol 289 unq 1 iso 1 dist 8.8956 5.57075 9.99681 12.7029 9.62446 13.523 numMergedOcc 0
