0 mol 13 unq 0 iso 0 dist 9.37235 6.03544 9.92193 10.95 6.79244 7.5429 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 9.74892 10.6599 9.8294 14.1664 8.71742 6.84974 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 8.364 8.14775 4.75701 14.0862 6.10625 9.52334 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 7.37255 4.03085 4.75701 11.7807 6.10625 9.52334 numMergedOcc 0
4 mol 120 unq 0 iso 0 dist 9.41521 10.7979 8.20009 11.3088 4.98499 6.05523 numMergedOcc 0
5 mol 120 unq 1 iso 0 dist 9.41521 6.76794 8.14799 11.3088 4.98499 7.81657 numMergedOcc 0
6 mol 196 unq 0 iso 0 dist 9.29791 7.41182 7.84536 14.8916 9.04037 8.76389 numMergedOcc 0
7 mol 196 unq 1 iso 0 dist 9.29791 8.83138 7.07723 14.8916 9.04037 6.78722 numMergedOcc 0
8 mol 197 unq 0 iso 0 dist 9.00273 6.73386 9.14737 11.0119 14.465 8.56661 numMergedOcc 0
9 mol 197 unq 1 iso 0 dist 9.00273 6.73386 9.14737 7.26706 10.8461 6.20676 numMergedOcc 0
10 mol 197 unq 2 iso 0 dist 9.00273 6.73386 9.14737 5.97267 4.91336 7.36576 numMergedOcc 0
11 mol 197 unq 3 iso 0 dist 7.19387 12.9164 9.14737 18.6527 14.465 8.56661 numMergedOcc 0
12 mol 197 unq 4 iso 0 dist 7.19387 12.9164 9.14737 14.5745 10.8461 6.20676 numMergedOcc 0
13 mol 197 unq 5 iso 0 dist 7.19387 12.9164 9.14737 8.80739 4.91336 7.36576 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 6.9028 9.44535 6.93717 6.47032 3.91796 7.39796 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 7.23901 4.96764 6.93717 5.3841 3.91796 7.39796 numMergedOcc 0
16 mol 243 unq 0 iso 0 dist 8.19458 7.37893 7.70059 9.90615 7.32025 5.7554 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 6.50405 11.273 8.95261 12.6631 8.14464 8.13651 numMergedOcc 0
18 mol 257 unq 1 iso 0 dist 6.50405 8.30954 7.80336 12.6631 8.14464 7.70445 numMergedOcc 0
19 mol 270 unq 0 iso 0 dist 9.02113 7.18911 7.05331 10.037 6.83628 9.6554 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 7.47799 5.5718 8.88567 10.0089 4.83983 9.81594 numMergedOcc 0
