0 mol 17 unq 0 iso 0 dist 5.41678 9.31896 7.18716 8.7483 4.79124 8.35273 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 6.86352 4.63894 5.78231 10.9719 9.74984 7.52145 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 6.86352 4.63894 5.78231 11.6815 11.3409 8.35776 numMergedOcc 0
3 mol 32 unq 2 iso 0 dist 8.5448 3.24351 5.78231 7.41509 9.74984 7.52145 numMergedOcc 0
4 mol 32 unq 3 iso 0 dist 8.5448 3.24351 5.78231 10.1217 11.3409 8.35776 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 9.66493 4.10723 8.51839 12.2874 9.10704 9.02073 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 6.75432 3.89181 7.49792 9.27053 8.53924 6.0827 numMergedOcc 0
7 mol 62 unq 1 iso 0 dist 8.45469 3.89181 6.58981 9.27053 4.38006 6.0827 numMergedOcc 0
8 mol 62 unq 2 iso 0 dist 7.63855 5.4275 6.51901 9.27053 6.37499 5.23167 numMergedOcc 0
9 mol 62 unq 3 iso 0 dist 7.63855 5.4275 6.51901 9.76501 9.79569 7.47607 numMergedOcc 0
10 mol 62 unq 4 iso 0 dist 5.48766 5.4275 9.1926 9.27053 11.7209 5.23167 numMergedOcc 0
11 mol 62 unq 5 iso 0 dist 5.48766 5.4275 9.1926 9.76501 13.1832 7.47607 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 9.24651 6.8994 6.02596 16.1053 8.14775 9.98861 numMergedOcc 0
13 mol 90 unq 1 iso 0 dist 9.24651 6.8994 6.02596 7.09826 4.03085 5.52904 numMergedOcc 0
14 mol 90 unq 2 iso 0 dist 4.5401 6.8994 8.17454 16.1053 14.9764 9.98861 numMergedOcc 0
15 mol 90 unq 3 iso 0 dist 4.5401 6.8994 8.17454 7.09826 4.99029 5.52904 numMergedOcc 0
16 mol 96 unq 0 iso 0 dist 8.36933 13.8839 7.22615 16.6155 8.67044 7.40983 numMergedOcc 0
17 mol 96 unq 1 iso 0 dist 6.68473 3.92234 7.22615 10.5019 8.67044 7.40983 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 6.98104 10.2106 5.94465 11.154 4.87865 4.60192 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 5.51129 8.90391 8.42277 13.3322 8.63314 9.91021 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 5.51129 8.90391 8.42277 8.06536 4.81238 5.5917 numMergedOcc 0
21 mol 129 unq 2 iso 0 dist 5.51129 5.85476 6.26653 8.06536 4.81238 5.24806 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 7.00531 6.47265 6.23243 4.42722 4.61842 7.39043 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 9.21721 8.58432 5.65735 5.73488 4.40718 7.22151 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 5.00508 5.9338 7.45508 11.5889 7.66679 9.76929 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 6.14231 11.3526 6.67548 9.10682 5.495 9.05194 numMergedOcc 0
26 mol 264 unq 1 iso 0 dist 6.14231 8.93485 5.57579 9.10682 5.495 9.02526 numMergedOcc 0
27 mol 264 unq 2 iso 0 dist 4.68488 6.26054 6.67548 7.60952 5.495 9.05194 numMergedOcc 0
28 mol 264 unq 3 iso 0 dist 4.68488 3.81537 5.57579 7.60952 5.495 9.02526 numMergedOcc 0
