0 mol 114 unq 0 iso 0 dist 8.56617 6.20538 5.82501 4.61737 9.7918 7.6321 numMergedOcc 0
1 mol 119 unq 0 iso 0 dist 8.38498 5.90092 6.13391 6.77381 6.98934 6.0968 numMergedOcc 0
2 mol 120 unq 0 iso 0 dist 9.67232 4.77158 9.27951 10.2515 8.93905 5.89379 numMergedOcc 0
3 mol 158 unq 0 iso 0 dist 8.65878 8.6549 6.92225 8.17865 7.88319 9.86605 numMergedOcc 0
4 mol 171 unq 0 iso 0 dist 5.94881 8.85582 6.69054 7.24557 9.11712 5.58953 numMergedOcc 0
5 mol 194 unq 0 iso 0 dist 8.26119 13.7534 7.47107 5.69334 6.26839 10.2633 numMergedOcc 0
6 mol 194 unq 1 iso 0 dist 8.26119 13.7534 7.47107 13.2099 8.12346 9.36943 numMergedOcc 0
7 mol 194 unq 2 iso 0 dist 8.26119 13.7534 7.47107 16.2258 8.83356 7.72655 numMergedOcc 0
8 mol 194 unq 3 iso 0 dist 8.26119 13.7534 7.47107 13.4175 8.2654 4.57265 numMergedOcc 0
9 mol 194 unq 4 iso 0 dist 9.10338 13.5452 7.47107 13.5654 6.26839 10.2633 numMergedOcc 0
10 mol 194 unq 5 iso 0 dist 9.10338 13.5452 7.47107 10.2888 8.12346 9.36943 numMergedOcc 0
11 mol 194 unq 6 iso 0 dist 9.10338 13.5452 7.47107 11.1617 8.83356 7.72655 numMergedOcc 0
12 mol 194 unq 7 iso 0 dist 9.10338 13.5452 7.47107 13.9257 8.2654 4.57265 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 8.1139 7.97874 9.86462 7.9251 8.0751 4.29962 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 7.55355 8.90714 8.28454 5.38295 8.87609 10.754 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 7.96696 8.8772 8.81373 4.9585 8.67805 6.06308 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 9.84667 11.9929 8.28871 9.54944 6.04162 11.5671 numMergedOcc 0
17 mol 264 unq 1 iso 0 dist 9.84667 11.9929 8.28871 12.533 6.14323 13.8765 numMergedOcc 0
18 mol 264 unq 2 iso 0 dist 9.84667 14.4117 7.94668 9.54944 6.04162 5.21164 numMergedOcc 0
19 mol 264 unq 3 iso 0 dist 9.84667 14.4117 7.94668 12.533 6.14323 6.12009 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 6.98595 7.62941 6.89391 5.23192 5.31728 4.16039 numMergedOcc 0
21 mol 285 unq 1 iso 0 dist 8.32103 11.4179 6.89391 9.00041 5.31728 4.16039 numMergedOcc 0
