0 mol 34 unq 0 iso 0 dist 9.3613 8.36524 12.6572 10.9927 9.29561 11.1344 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 6.09042 8.27156 10.894 6.7153 6.31934 11.295 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 6.57452 8.29727 5.16822 6.00694 4.49869 9.10134 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 9.48319 9.86416 15.2271 5.94141 5.41154 14.4717 numMergedOcc 0
4 mol 94 unq 0 iso 0 dist 6.63924 6.31237 6.0901 6.3708 8.93438 8.13248 numMergedOcc 0
5 mol 102 unq 0 iso 0 dist 7.90927 8.84131 9.9427 9.83913 5.90675 12.0425 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 6.15949 6.99793 7.65733 9.74115 9.26301 7.91231 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 6.15949 6.71345 5.24877 9.74115 9.26301 11.1736 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 5.91786 8.64107 7.09627 4.97528 6.17589 6.61066 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 5.91786 9.50575 7.10772 4.97528 6.17589 6.3982 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 6.4413 7.95671 5.34721 4.16381 6.17633 9.64123 numMergedOcc 0
11 mol 148 unq 1 iso 0 dist 6.4413 7.95671 5.34721 7.58385 9.32264 11.8523 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 6.62609 8.12659 5.38822 4.19097 6.20295 9.72257 numMergedOcc 0
13 mol 150 unq 1 iso 0 dist 6.62609 8.12659 5.38822 7.5757 9.34249 11.8819 numMergedOcc 0
14 mol 187 unq 0 iso 0 dist 8.8048 9.38169 10.0429 4.62889 8.71134 13.0002 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 5.6317 9.82576 11.7866 numMergedOcc 0
16 mol 257 unq 0 iso 0 dist 7.63329 6.26533 5.54149 5.44976 9.91996 5.16581 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 6.20998 6.95233 5.98169 9.07546 5.59641 8.82941 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 6.20998 9.61741 13.6708 9.07546 5.59641 12.1649 numMergedOcc 0
19 mol 266 unq 2 iso 0 dist 6.20998 5.61056 10.2407 9.07546 5.59641 11.4813 numMergedOcc 0
20 mol 281 unq 0 iso 0 dist 6.81536 9.37845 5.81338 8.46058 5.53313 8.32692 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 8.17214 8.33653 5.93692 13.224 7.47103 10.6145 numMergedOcc 0
