0 mol 78 unq 0 iso 0 dist 7.80757 8.07529 6.85523 13.7086 7.91148 6.99884 numMergedOcc 0
1 mol 78 unq 1 iso 0 dist 7.80757 8.07529 6.85523 10.9209 6.59794 3.75261 numMergedOcc 0
2 mol 78 unq 2 iso 0 dist 7.80757 8.07529 6.85523 15.7494 8.34957 10.6388 numMergedOcc 0
3 mol 78 unq 3 iso 0 dist 7.80757 12.9164 5.77326 13.7086 7.91148 4.75637 numMergedOcc 0
4 mol 78 unq 4 iso 0 dist 7.80757 12.9164 5.77326 10.9209 6.59794 5.62063 numMergedOcc 0
5 mol 78 unq 5 iso 0 dist 7.80757 12.9164 5.77326 15.7494 8.34957 3.81575 numMergedOcc 0
6 mol 78 unq 6 iso 0 dist 9.2835 14.1127 6.85523 12.7015 7.91148 6.99884 numMergedOcc 0
7 mol 78 unq 7 iso 0 dist 9.2835 14.1127 6.85523 12.9102 6.59794 3.75261 numMergedOcc 0
8 mol 78 unq 8 iso 0 dist 9.2835 14.1127 6.85523 10.2933 8.34957 10.6388 numMergedOcc 0
9 mol 78 unq 9 iso 0 dist 9.2835 7.94748 5.77326 12.7015 7.91148 4.75637 numMergedOcc 0
10 mol 78 unq 10 iso 0 dist 9.2835 7.94748 5.77326 12.9102 6.59794 5.62063 numMergedOcc 0
11 mol 78 unq 11 iso 0 dist 9.2835 7.94748 5.77326 10.2933 8.34957 3.81575 numMergedOcc 0
12 mol 78 unq 12 iso 0 dist 5.02591 10.5433 6.85523 11.1086 7.91148 6.99884 numMergedOcc 0
13 mol 78 unq 13 iso 0 dist 5.02591 10.5433 6.85523 10.2834 6.59794 3.75261 numMergedOcc 0
14 mol 78 unq 14 iso 0 dist 5.02591 10.5433 6.85523 10.0935 8.34957 10.6388 numMergedOcc 0
15 mol 78 unq 15 iso 0 dist 5.02591 7.00354 5.77326 11.1086 7.91148 4.75637 numMergedOcc 0
16 mol 78 unq 16 iso 0 dist 5.02591 7.00354 5.77326 10.2834 6.59794 5.62063 numMergedOcc 0
17 mol 78 unq 17 iso 0 dist 5.02591 7.00354 5.77326 10.0935 8.34957 3.81575 numMergedOcc 0
18 mol 122 unq 0 iso 0 dist 5.09114 6.11558 6.00603 4.92712 4.42563 3.17342 numMergedOcc 0
19 mol 132 unq 0 iso 0 dist 9.0339 3.48657 6.89918 10.3456 5.77186 6.96373 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 4.93035 6.48796 8.07097 6.0008 7.46621 8.53163 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 8.72463 7.21648 7.36975 10.7652 8.99891 14.4074 numMergedOcc 0
22 mol 143 unq 1 iso 0 dist 8.72463 9.42107 5.40637 10.7652 8.99891 5.94217 numMergedOcc 0
23 mol 168 unq 0 iso 0 dist 6.60477 6.54174 6.02086 7.42753 8.92592 3.5168 numMergedOcc 0
24 mol 168 unq 1 iso 0 dist 6.60477 6.54174 6.02086 5.47812 9.57452 5.43054 numMergedOcc 0
25 mol 197 unq 0 iso 0 dist 6.22696 13.0947 9.10817 7.21941 9.23086 17.435 numMergedOcc 0
26 mol 197 unq 1 iso 0 dist 6.22696 4.65029 9.73548 7.21941 9.23086 4.91041 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 6.32652 6.5797 5.94972 5.43925 7.16758 5.84475 numMergedOcc 0
28 mol 213 unq 0 iso 0 dist 6.82185 10.1106 8.21793 7.38644 8.82761 14.4808 numMergedOcc 0
29 mol 213 unq 1 iso 0 dist 6.82881 5.6182 8.22569 7.85961 9.09354 10.3403 numMergedOcc 0
30 mol 213 unq 2 iso 0 dist 6.82881 5.6182 8.22569 7.38644 4.66576 5.45331 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 5.69465 4.54051 7.20674 7.17049 6.69619 8.76061 numMergedOcc 0
32 mol 292 unq 1 iso 0 dist 5.69465 4.54051 7.20674 7.97171 4.49592 9.42231 numMergedOcc 0
33 mol 292 unq 2 iso 0 dist 5.69465 5.92893 8.38121 7.17049 6.69619 12.1704 numMergedOcc 0
34 mol 292 unq 3 iso 0 dist 5.69465 5.92893 8.38121 7.97171 4.49592 11.9106 numMergedOcc 0
