0 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 8.09311 11.6226 9.94429 5.97304 6.60423 9.38831 10.8583 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 6.72502 6.58998 9.05357 13.1949 6.88355 5.97304 6.60423 9.38831 14.2818 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 7.95042 5.11636 4.47891 6.58998 6.72502 9.38831 8.24948 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 6.75943 4.96926 4.55347 5.48048 8.44903 7.31982 7.15901 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 5.73819 8.44903 5.48048 6.66407 5.07458 4.69849 5.64171 8.60739 7.31982 7.24352 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.95579 7.33422 6.82174 7.7068 6.36397 6.33204 5.08358 8.00777 10.6458 10.7316 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.19965 7.33422 7.91778 7.7068 4.41789 6.33204 5.08358 7.1589 10.6458 10.7316 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.71338 6.47042 10.0814 8.47988 6.95317 8.90959 8.56707 6.43433 12.0448 4.99604 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.71338 6.47042 10.0814 8.0427 7.57713 4.4941 8.56707 6.43433 12.0448 10.2181 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 7.88312 5.72642 7.3094 7.69765 11.835 7.27912 7.21418 5.74857 8.71286 14.0614 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 7.88312 5.72642 7.3094 9.42082 6.07067 10.5109 7.21418 5.74857 8.71286 10.3973 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 7.64052 9.68677 6.29394 3.78311 7.77116 8.03035 9.57341 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.73993 6.37542 6.08167 7.64052 9.68677 9.64502 3.78311 7.77116 7.6968 9.57341 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 6.70693 4.94983 4.71678 5.59336 8.35555 6.39031 7.1069 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 9.29945 5.4969 12.3408 9.63417 11.0361 9.37652 4.24624 8.0154 7.32419 12.349 numMergedOcc 0
15 mol 175 unq 1 iso 0 dist 9.29945 6.4318 8.68081 9.63417 11.0361 4.52999 4.24624 8.0154 8.31961 12.349 numMergedOcc 0
16 mol 175 unq 2 iso 0 dist 9.29945 7.35824 12.5754 9.63417 11.0361 5.68406 4.24624 8.0154 11.3531 12.349 numMergedOcc 0
17 mol 175 unq 3 iso 0 dist 9.29945 9.17364 10.0424 9.63417 11.0361 9.31641 4.24624 8.0154 11.7939 12.349 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 6.00706 8.48341 6.03524 6.74196 8.84507 9.0716 6.42798 7.862 12.5422 7.97027 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 6.00706 8.48341 6.03524 8.36842 6.02502 10.5383 6.42798 7.862 12.5422 4.9876 numMergedOcc 0
20 mol 222 unq 2 iso 0 dist 6.00706 8.48341 6.03524 9.75472 5.18677 8.90753 6.42798 7.862 12.5422 8.23353 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 10.5813 8.03442 9.56257 9.43618 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 7.22396 8.03442 9.56257 9.43618 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 7.19638 6.86945 5.25252 7.15764 7.40852 4.34126 7.63376 7.50201 8.55481 5.9974 numMergedOcc 0
