0 mol 42 unq 0 iso 0 dist 6.14934 8.03678 4.50835 12.4373 13.1748 9.39402 numMergedOcc 0
1 mol 42 unq 1 iso 0 dist 8.04675 8.03678 4.98339 12.4373 11.3896 9.39402 numMergedOcc 0
2 mol 42 unq 2 iso 0 dist 9.82637 8.7885 12.7112 10.9827 18.1663 9.39402 numMergedOcc 0
3 mol 42 unq 3 iso 0 dist 8.64833 8.7885 4.50835 10.9827 13.1748 9.39402 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.51978 7.18148 13.8618 8.44747 15.0442 9.24708 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 5.94478 7.85115 8.02001 4.90013 10.5934 9.0807 numMergedOcc 0
6 mol 103 unq 1 iso 0 dist 5.94478 7.85115 8.02001 15.1802 16.4816 9.70231 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 6.7319 8.72521 10.9086 11.2808 14.505 6.38786 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 9.7168 7.91749 6.77599 6.76353 12.9544 9.0735 numMergedOcc 0
9 mol 148 unq 1 iso 0 dist 7.38138 7.91749 10.2375 6.76353 13.8436 9.0735 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 9.61132 7.96309 6.74495 6.65519 12.8058 9.03593 numMergedOcc 0
11 mol 150 unq 1 iso 0 dist 7.34423 7.96309 10.2651 6.65519 13.7265 9.03593 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 8.1504 4.80508 6.81208 8.67293 13.6407 9.98554 numMergedOcc 0
13 mol 158 unq 1 iso 0 dist 8.1504 4.88625 5.74997 10.8391 13.8382 9.04564 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 4.96326 7.02812 5.02061 5.80843 8.02366 9.40138 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 6.31492 8.43599 11.1685 4.60682 10.8493 9.75791 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 9.05666 8.42665 12.1342 4.64973 13.125 7.97601 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 6.82185 7.86605 4.71943 10.867 11.4322 8.22178 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 6.82881 7.86605 3.62097 10.867 10.5979 8.22178 numMergedOcc 0
19 mol 276 unq 0 iso 0 dist 7.11272 9.97709 9.89329 13.8349 15.4157 8.50998 numMergedOcc 0
20 mol 276 unq 1 iso 0 dist 6.24808 9.97709 12.1499 13.8349 18.4446 8.50998 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 6.65024 9.02882 4.50378 10.2055 10.9791 9.60384 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 9.6958 6.70519 14.2286 9.2921 18.9756 8.83359 numMergedOcc 0
