0 mol 43 unq 0 iso 0 dist 8.06275 9.72346 9.86609 15.4384 8.90024 15.8838 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 6.35333 9.2958 3.84053 9.72677 9.16277 12.7323 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 8.63742 7.34645 3.80229 5.54632 6.91739 6.7303 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 6.91739 9.87737 6.64078 5.54632 8.63742 10.4704 numMergedOcc 0
4 mol 70 unq 2 iso 0 dist 6.91739 6.7303 3.80229 5.54632 8.63742 7.34645 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.3558 7.06722 9.85978 16.7019 9.8079 17.1507 numMergedOcc 0
6 mol 96 unq 0 iso 0 dist 6.21351 6.93203 6.08084 7.31203 9.93617 8.68256 numMergedOcc 0
7 mol 96 unq 1 iso 0 dist 9.93617 8.68256 6.08084 7.31203 6.21351 6.93203 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.85583 8.83567 4.69658 5.62795 8.86938 6.79584 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 8.86938 6.79584 4.69658 5.62795 7.85583 8.83567 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 8.43116 9.82655 12.6623 10.8923 9.50575 18.792 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 4.93681 6.4119 4.05822 4.10205 8.86346 10.3674 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 6.11505 4.72209 7.35363 4.88176 8.57514 9.58911 numMergedOcc 0
13 mol 235 unq 0 iso 0 dist 5.60236 5.49475 4.67058 9.1359 9.03917 7.8548 numMergedOcc 0
14 mol 235 unq 1 iso 0 dist 9.03917 7.8548 4.67058 9.1359 5.60236 5.49475 numMergedOcc 0
15 mol 235 unq 2 iso 0 dist 6.45574 8.28824 4.75609 5.16968 8.14407 11.7046 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 6.90245 7.65636 4.07839 9.1453 8.23536 10.1317 numMergedOcc 0
17 mol 285 unq 0 iso 0 dist 6.44657 5.93983 8.33646 14.2565 9.82717 11.3313 numMergedOcc 0
18 mol 285 unq 1 iso 0 dist 6.44657 5.93983 8.33646 9.31107 8.33653 14.585 numMergedOcc 0
