0 mol 92 unq 0 iso 0 dist 5.89394 6.80709 7.4729 10.9738 6.95572 9.50382 14.7682 11.8037 9.514 7.44343 numMergedOcc 0
1 mol 92 unq 1 iso 0 dist 5.89394 6.20561 6.82344 10.9738 6.95572 7.56363 14.7682 11.8037 13.0248 7.44343 numMergedOcc 0
2 mol 125 unq 0 iso 0 dist 8.38646 6.5815 8.62381 10.4668 9.3778 11.0769 16.0144 9.19339 14.6763 9.2657 numMergedOcc 0
3 mol 143 unq 0 iso 0 dist 8.72463 14.0766 5.99315 16.1752 7.78652 6.48978 18.7615 11.2897 11.3921 5.75595 numMergedOcc 0
4 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 11.7605 9.44367 5.4555 8.46837 5.0966 7.30021 9.6281 numMergedOcc 0
5 mol 156 unq 1 iso 0 dist 7.80643 6.52984 7.44554 11.7605 9.44367 5.4555 14.8825 9.07974 10.0734 6.22667 numMergedOcc 0
6 mol 156 unq 2 iso 0 dist 7.80643 6.52984 7.44554 5.95655 9.47433 11.9952 11.6456 11.8579 16.1718 7.70894 numMergedOcc 0
7 mol 167 unq 0 iso 0 dist 6.64164 5.361 9.87651 10.2539 9.67741 13.0123 16.1585 12.5567 20.4488 9.69399 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 6.96824 8.76337 7.63312 9.91956 6.41453 7.20191 10.7353 5.16386 11.5992 6.66608 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 6.31492 7.48422 9.31746 7.00671 6.73956 7.68794 5.16184 5.40949 7.86625 9.68323 numMergedOcc 0
10 mol 182 unq 1 iso 0 dist 7.8621 6.98787 9.31746 9.23913 6.73956 7.68794 8.54162 5.40949 7.86625 9.68323 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 8.93637 14.8074 9.23153 12.5597 6.59716 7.11498 4.58449 6.24624 13.1834 9.05637 numMergedOcc 0
12 mol 249 unq 0 iso 0 dist 6.42827 8.22485 7.57994 5.74889 5.48118 10.7772 9.63838 9.82483 15.3404 4.68783 numMergedOcc 0
13 mol 249 unq 1 iso 0 dist 6.42827 6.77698 6.18582 5.74889 5.48118 7.04666 9.63838 9.82483 11.128 4.68783 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 10.451 7.98231 8.41846 10.3275 5.71237 6.77279 9.69025 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 10.451 7.98231 8.81835 10.3275 5.71237 9.58006 9.69025 numMergedOcc 0
16 mol 259 unq 2 iso 0 dist 9.47382 13.8605 7.46176 10.451 7.08526 8.81835 10.3275 11.8501 9.58006 9.69025 numMergedOcc 0
