0 mol 26 unq 0 iso 0 dist 9.15677 13.6936 9.80897 14.1383 8.44506 16.1274 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.15677 15.9417 8.37225 14.1383 8.44506 13.0741 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.61029 9.53753 9.80897 9.77186 8.44506 16.1274 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 9.61029 7.84121 8.37225 9.77186 8.44506 13.0741 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.28737 9.33477 8.77218 6.38454 4.79949 5.05789 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.28737 9.33477 8.77218 11.5407 7.27693 8.44806 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.65229 15.3708 9.90769 12.468 8.729 7.63956 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 8.14071 14.3839 8.59695 10.9764 8.03372 7.36759 numMergedOcc 0
8 mol 129 unq 1 iso 0 dist 8.14071 11.9431 6.42706 10.9764 8.03372 7.79894 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 6.99089 11.5819 8.86784 5.50042 5.53031 6.20072 numMergedOcc 0
10 mol 196 unq 0 iso 0 dist 6.64506 5.45869 9.84466 11.9967 8.20691 14.4392 numMergedOcc 0
11 mol 196 unq 1 iso 0 dist 6.64506 5.45869 9.84466 5.39297 5.85777 5.15494 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 7.92766 13.46 9.44947 10.2224 6.85441 4.80028 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 8.59262 10.9563 8.95375 5.90709 8.70977 11.157 numMergedOcc 0
14 mol 206 unq 1 iso 0 dist 8.59262 12.1002 9.29007 5.90709 8.70977 7.41593 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 6.83122 11.9124 9.92165 8.62938 6.38157 13.4719 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 6.18486 7.03318 9.78611 5.98086 5.87815 6.3262 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 7.2527 14.3699 8.6771 9.87539 6.66971 6.60696 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 9.29203 15.9724 8.6771 10.4401 6.66971 6.60696 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 7.62771 15.9724 9.58767 10.4401 6.4398 6.60696 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 9.40755 6.57064 9.60071 5.74965 9.80092 5.4878 numMergedOcc 0
