0 mol 25 unq 0 iso 0 dist 7.05148 8.27137 11.0175 6.17631 8.6653 11.4732 11.3003 10.3493 12.3528 7.03372 numMergedOcc 0
1 mol 109 unq 0 iso 0 dist 8.48774 6.67635 7.60413 11.1132 6.60933 9.65809 14.9801 6.57741 13.1297 8.11702 numMergedOcc 0
2 mol 109 unq 1 iso 0 dist 8.48774 6.67635 7.60413 11.1132 6.60933 9.65809 6.3323 4.0719 3.54756 7.44558 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 5.37302 6.12348 3.84573 14.0364 9.66219 8.80934 7.08403 3.52111 3.52445 7.02367 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 5.37302 6.12348 3.84573 14.0364 9.66219 8.80934 15.267 13.7232 10.4701 9.30832 numMergedOcc 0
5 mol 113 unq 2 iso 0 dist 8.47541 7.2672 3.84573 12.1308 9.66219 8.80934 9.88567 3.52111 3.52445 7.02367 numMergedOcc 0
6 mol 113 unq 3 iso 0 dist 8.47541 7.2672 3.84573 12.1308 9.66219 8.80934 14.4165 13.7232 10.4701 9.30832 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 8.90876 9.23064 12.6805 12.1014 7.44629 19.0785 8.00063 5.71136 13.0096 8.92592 numMergedOcc 0
8 mol 168 unq 1 iso 0 dist 8.90876 9.23064 12.6805 12.1014 7.44629 19.0785 10.8516 5.46307 14.104 9.57452 numMergedOcc 0
9 mol 168 unq 2 iso 0 dist 8.90876 7.30338 4.02702 12.1014 7.44629 6.02086 8.00063 5.71136 3.5168 8.92592 numMergedOcc 0
10 mol 168 unq 3 iso 0 dist 8.90876 7.30338 4.02702 12.1014 7.44629 6.02086 10.8516 5.46307 5.43054 9.57452 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 8.95598 8.27396 4.67256 4.41193 6.42735 5.96423 11.7036 5.05856 9.71065 9.84566 numMergedOcc 0
12 mol 184 unq 1 iso 0 dist 8.95598 8.27396 4.67256 4.41193 6.42735 5.96423 9.10344 5.69882 3.30691 8.22001 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 8.80931 8.60546 5.45812 5.90604 7.36683 8.9507 9.88738 9.10355 7.61368 6.59544 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 7.23557 6.41148 9.86388 4.2475 4.8668 6.49765 8.93485 9.43113 6.49396 9.31158 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 8.86587 5.06713 9.86388 6.8901 4.8668 6.49765 5.66636 9.43113 6.49396 9.31158 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 8.86587 8.69512 16.7363 6.8901 4.8668 14.2129 5.66636 9.43113 8.93955 9.31158 numMergedOcc 0
17 mol 219 unq 0 iso 0 dist 7.13099 6.52136 5.75906 5.0241 7.59632 4.33238 12.8918 8.27505 8.59843 9.64116 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 5.89818 8.86886 6.67077 4.82768 7.67576 12.0171 4.90656 3.98604 10.1968 5.1609 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 9.32543 8.86886 16.6736 4.82768 9.82371 12.0171 4.90656 7.99695 10.1968 5.1609 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 9.11072 4.97796 13.3632 9.85454 9.85289 12.8334 13.1593 5.14522 16.9722 9.83622 numMergedOcc 0
21 mol 274 unq 1 iso 0 dist 9.02071 7.15079 9.78219 5.9882 9.85289 11.9912 11.8576 5.14522 13.7167 9.83622 numMergedOcc 0
