0 mol 18 unq 0 iso 0 dist 9.2978 4.84965 6.41856 12.3794 3.96312 8.35401 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 7.37356 4.84965 8.51213 12.3794 13.06 8.35401 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 7.48808 5.24786 7.88429 7.01513 7.08873 6.29808 numMergedOcc 0
3 mol 21 unq 1 iso 0 dist 7.48808 5.24786 7.88429 10.9609 10.6154 7.46409 numMergedOcc 0
4 mol 21 unq 2 iso 0 dist 7.48808 5.24786 7.88429 13.1184 9.29249 8.99131 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 8.36524 9.05146 8.16494 5.39587 4.55481 5.51172 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 6.84521 5.00932 8.99509 11.7228 11.2061 7.86479 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.06275 14.8755 8.47617 14.5583 8.6477 7.86479 numMergedOcc 0
8 mol 43 unq 2 iso 0 dist 8.90024 5.00932 8.47617 11.7228 8.6477 7.86479 numMergedOcc 0
9 mol 43 unq 3 iso 0 dist 6.78532 5.00932 5.73331 11.7228 6.33831 7.86479 numMergedOcc 0
10 mol 51 unq 0 iso 0 dist 6.67213 5.44727 8.99612 8.92175 4.32726 9.07954 numMergedOcc 0
11 mol 89 unq 0 iso 0 dist 8.85873 5.19804 5.25504 7.02228 6.13636 5.65453 numMergedOcc 0
12 mol 89 unq 1 iso 0 dist 7.3606 5.19804 7.84991 7.02228 4.16955 5.65453 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 8.07365 4.90339 9.17862 10.3611 3.94537 9.77082 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 8.07365 12.9365 8.27456 10.3611 3.94537 8.0675 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 9.83528 10.7274 4.31067 11.8912 3.9764 5.44426 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 9.83528 10.7274 4.31067 15.0815 7.03983 7.63284 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 7.54969 5.76482 4.31067 8.79016 3.9764 5.44426 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 7.54969 5.76482 4.31067 12.3426 7.03983 7.63284 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 8.94541 4.4033 6.76166 10.1396 11.5407 9.13631 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 7.30919 12.021 6.76166 11.5211 11.5407 9.13631 numMergedOcc 0
21 mol 178 unq 0 iso 0 dist 8.04723 11.2444 7.14849 10.9114 6.42973 5.4647 numMergedOcc 0
22 mol 196 unq 0 iso 0 dist 9.36732 14.2286 7.23126 17.9885 11.5807 4.48862 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 7.80612 14.2037 8.69557 12.6512 5.71505 8.8602 numMergedOcc 0
24 mol 243 unq 1 iso 0 dist 7.80612 4.72507 4.89168 12.6512 5.71505 9.49016 numMergedOcc 0
25 mol 243 unq 2 iso 0 dist 7.80612 4.72507 4.89168 9.89379 4.81639 8.92798 numMergedOcc 0
