0 mol 41 unq 0 iso 0 dist 7.10635 7.51317 7.89705 10.2426 5.91275 8.19484 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.01516 11.7786 6.07578 13.9046 6.05149 5.69384 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 7.52954 8.05738 9.7695 16.3923 13.907 9.49192 numMergedOcc 0
3 mol 103 unq 1 iso 0 dist 8.1375 5.74649 9.39702 9.57953 4.36597 9.7171 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 9.92685 7.19014 4.85559 8.80041 5.11455 7.62584 numMergedOcc 0
5 mol 130 unq 1 iso 0 dist 9.92685 7.19014 4.85559 13.8116 7.43279 7.39532 numMergedOcc 0
6 mol 154 unq 0 iso 0 dist 7.63904 7.86748 6.31314 7.10223 7.10961 9.2042 numMergedOcc 0
7 mol 163 unq 0 iso 0 dist 8.66172 12.0265 6.96572 12.1247 5.02465 8.12896 numMergedOcc 0
8 mol 163 unq 1 iso 0 dist 8.66172 12.0265 6.96572 19.4641 11.6445 8.88092 numMergedOcc 0
9 mol 163 unq 2 iso 0 dist 8.66172 3.64474 9.29539 12.4304 17.2409 9.3832 numMergedOcc 0
10 mol 163 unq 3 iso 0 dist 8.66172 3.64474 9.29539 7.5447 8.52732 6.0247 numMergedOcc 0
11 mol 163 unq 4 iso 0 dist 8.66172 3.64474 9.29539 9.42828 10.0505 6.40873 numMergedOcc 0
12 mol 163 unq 5 iso 0 dist 6.89529 3.64474 9.02124 12.4304 14.7097 9.3832 numMergedOcc 0
13 mol 163 unq 6 iso 0 dist 6.89529 3.64474 9.02124 7.5447 12.8414 6.0247 numMergedOcc 0
14 mol 163 unq 7 iso 0 dist 6.89529 3.64474 9.02124 9.42828 14.9092 6.40873 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 6.20851 5.31547 6.81707 8.59783 5.24208 7.68295 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 6.7407 10.6359 7.70692 10.4088 4.52935 5.76772 numMergedOcc 0
17 mol 173 unq 1 iso 0 dist 8.84813 11.4674 4.0037 15.7358 7.46995 5.36078 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 5.83898 10.0038 8.74308 18.0748 14.9776 9.47421 numMergedOcc 0
19 mol 243 unq 0 iso 0 dist 7.93817 5.81296 8.54245 8.28347 5.80426 5.66593 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 6.28023 4.85537 9.4626 11.5475 16.839 9.89698 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 8.299 12.3159 8.84798 17.9108 13.1905 5.63154 numMergedOcc 0
