0 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 9.5538 7.12903 5.90976 15.2545 9.03536 8.38064 8.21493 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 5.66529 6.58035 5.94084 9.59856 5.32694 7.63133 5.47769 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.84569 5.46269 5.46498 6.32814 8.41862 6.73355 10.5516 5.74188 8.71745 8.16785 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 10.0721 4.65521 7.41074 10.1112 5.4148 9.96396 8.70133 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.56728 11.609 7.47541 8.46482 7.22293 7.98917 13.2962 6.9948 7.97049 9.47876 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 8.46482 7.22293 11.6116 13.2962 6.9948 6.19965 9.47876 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 5.70279 5.85449 6.65086 11.8754 7.75343 10.9608 11.3277 5.88134 9.60661 6.58204 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 5.70279 7.68675 6.56369 11.8754 7.75343 5.69137 11.3277 5.88134 9.35224 6.58204 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 7.266 9.66954 6.09023 12.9647 7.69052 5.83991 8.66155 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 8.97043 5.19652 6.11741 7.266 9.66954 4.61908 12.9647 7.69052 7.88312 8.66155 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 7.0318 5.21051 7.90328 5.70073 6.62561 4.91401 11.0698 7.22206 7.83136 7.63616 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.99949 11.3502 6.85062 9.45501 6.91348 6.19596 15.0798 6.63273 7.12972 8.6243 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 7.26771 5.42582 5.41704 12.3933 5.49782 8.94367 8.79571 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 7.27598 6.50005 6.37586 7.26771 5.42582 5.41704 5.57904 5.00817 6.49416 8.6355 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 7.26771 5.42582 6.17103 12.3933 5.49782 9.86662 8.79571 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 5.57904 6.50005 6.49416 7.26771 8.6355 5.41704 12.3933 8.80819 8.94367 8.79571 numMergedOcc 0
16 mol 134 unq 4 iso 0 dist 5.57904 6.50005 6.49416 7.26771 8.6355 5.41704 7.27598 5.00817 6.37586 5.42582 numMergedOcc 0
17 mol 142 unq 0 iso 0 dist 9.14908 6.3846 5.31024 11.8956 9.07935 9.49653 10.9228 5.32922 9.2313 7.15475 numMergedOcc 0
18 mol 142 unq 1 iso 0 dist 9.14908 4.39297 7.26382 11.8956 9.07935 7.53854 10.9228 5.32922 7.73169 7.15475 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 11.9162 9.36805 6.29785 13.581 8.38403 9.83699 7.55203 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 7.98018 4.68187 9.83699 4.71629 7.55203 6.29785 10.0213 8.38403 7.44554 9.36805 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 12.0857 5.22356 8.65997 6.95902 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 4.87108 7.45873 6.22714 5.61491 7.49471 5.17471 7.64276 5.34096 7.31233 7.19008 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 7.64276 7.45873 7.31233 5.61491 7.19008 5.17471 4.87108 5.34096 6.22714 7.49471 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 6.54455 5.17954 6.22714 6.74728 7.49471 5.17471 10.2875 5.34096 7.31233 7.19008 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 7.31993 10.4451 8.46116 13.7563 9.09992 5.63139 12.3168 5.40809 8.33638 6.73206 numMergedOcc 0
