0 mol 28 unq 0 iso 0 dist 7.22923 5.60694 7.09381 10.7556 9.40652 5.87633 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 7.93754 13.4621 6.7939 12.1802 4.56026 6.85356 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.93754 7.67132 5.68894 12.1802 4.56026 7.32265 numMergedOcc 0
3 mol 99 unq 0 iso 0 dist 9.59191 4.99202 4.82346 10.5272 9.73996 9.39801 numMergedOcc 0
4 mol 99 unq 1 iso 0 dist 9.59191 4.99202 4.82346 13.138 4.41001 8.89165 numMergedOcc 0
5 mol 99 unq 2 iso 0 dist 9.59191 5.02594 8.07233 10.5272 9.73996 6.02154 numMergedOcc 0
6 mol 125 unq 0 iso 0 dist 8.24606 5.78775 7.43803 11.6068 4.6635 8.44933 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 5.99206 6.08772 5.92836 7.4615 4.43841 4.73804 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 7.4615 6.08772 4.73804 5.99206 4.43841 5.92836 numMergedOcc 0
9 mol 151 unq 0 iso 0 dist 7.18715 7.07893 7.93343 8.59734 4.78271 5.89468 numMergedOcc 0
10 mol 151 unq 1 iso 0 dist 8.59734 7.07893 5.89468 7.18715 4.78271 7.93343 numMergedOcc 0
11 mol 165 unq 0 iso 0 dist 9.76019 5.99105 7.8052 12.3794 4.94677 8.20329 numMergedOcc 0
12 mol 172 unq 0 iso 0 dist 7.25403 6.14701 9.21942 12.5732 13.7364 7.44084 numMergedOcc 0
13 mol 172 unq 1 iso 0 dist 7.25403 6.14701 9.21942 10.3199 16.193 7.77643 numMergedOcc 0
14 mol 172 unq 2 iso 0 dist 5.54659 9.57335 7.44084 17.7503 13.7364 9.21942 numMergedOcc 0
15 mol 172 unq 3 iso 0 dist 5.54659 9.57335 7.44084 9.56872 10.1227 7.77643 numMergedOcc 0
16 mol 172 unq 4 iso 0 dist 5.54659 5.65586 5.28889 9.56872 10.1227 4.90175 numMergedOcc 0
17 mol 172 unq 5 iso 0 dist 9.56872 9.57335 7.77643 17.7503 16.193 9.21942 numMergedOcc 0
18 mol 172 unq 6 iso 0 dist 9.56872 9.57335 7.77643 5.54659 10.1227 7.44084 numMergedOcc 0
19 mol 172 unq 7 iso 0 dist 9.56872 5.65586 4.90175 5.54659 10.1227 5.28889 numMergedOcc 0
20 mol 240 unq 0 iso 0 dist 8.04656 13.4818 6.50985 13.9691 7.08033 8.40277 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 4.50513 8.25613 8.44356 17.5505 17.1913 9.30394 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 4.50513 8.25613 8.44356 14.8002 12.5806 8.5458 numMergedOcc 0
23 mol 287 unq 2 iso 0 dist 4.50513 8.25613 8.44356 11.7706 8.72516 8.47385 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 4.50513 8.25613 8.44356 17.5505 17.1913 9.30394 numMergedOcc 0
25 mol 288 unq 1 iso 0 dist 4.50513 8.25613 8.44356 14.8002 12.5806 8.5458 numMergedOcc 0
26 mol 288 unq 2 iso 0 dist 4.50513 8.25613 8.44356 11.7706 8.72516 8.47385 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 4.50513 8.25613 8.44356 17.5505 17.1913 9.30394 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 4.50513 8.25613 8.44356 14.8002 12.5806 8.5458 numMergedOcc 0
29 mol 289 unq 2 iso 0 dist 4.50513 8.25613 8.44356 11.7706 8.72516 8.47385 numMergedOcc 0
