0 mol 17 unq 0 iso 0 dist 7.8304 6.5643 8.8862 9.90289 7.82406 13.5979 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 5.74567 6.5643 4.3591 9.90289 9.877 13.5979 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.23202 8.38624 6.64571 9.39741 6.61977 11.7111 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.50475 9.55284 3.50984 9.78889 7.34031 4.74786 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.66163 7.33788 5.39812 5.52962 7.34031 6.11249 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 7.66163 9.74351 3.59761 5.52962 7.34031 9.41827 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 7.66163 7.36877 3.50984 5.52962 7.34031 4.74786 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 9.48288 8.52681 5.39812 10.1477 7.34031 6.11249 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 9.48288 9.98769 3.59761 10.1477 7.34031 9.41827 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 7.1796 9.21776 3.60121 5.20585 7.281 9.38938 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 7.1796 6.89752 3.65036 5.20585 7.281 4.53565 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 7.1796 6.85843 5.37655 5.20585 7.281 6.15814 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 9.16212 9.40291 3.60121 9.98618 7.281 9.38938 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 9.16212 7.94814 5.37655 9.98618 7.281 6.15814 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 9.16212 9.55632 8.48119 9.98618 7.281 7.70284 numMergedOcc 0
15 mol 64 unq 0 iso 0 dist 5.94373 8.6701 5.19841 4.97497 9.32552 13.2228 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 9.76351 6.64921 6.29733 14.7309 9.63599 14.294 numMergedOcc 0
17 mol 79 unq 1 iso 0 dist 9.76351 6.64921 6.29733 11.7335 8.01743 8.78124 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 7.7461 9.58166 3.90693 8.88349 6.90634 7.92317 numMergedOcc 0
19 mol 168 unq 0 iso 0 dist 5.24076 5.64732 8.8681 7.08042 7.60254 12.5943 numMergedOcc 0
20 mol 168 unq 1 iso 0 dist 5.24076 5.52214 3.73181 7.08042 7.60254 10.3398 numMergedOcc 0
21 mol 168 unq 2 iso 0 dist 5.24076 5.80055 5.71136 7.08042 7.60254 10.0147 numMergedOcc 0
22 mol 168 unq 3 iso 0 dist 5.24076 7.44481 5.46307 7.08042 7.60254 11.9783 numMergedOcc 0
23 mol 173 unq 0 iso 0 dist 8.14167 9.19939 8.66075 13.5257 6.64779 14.2324 numMergedOcc 0
24 mol 174 unq 0 iso 0 dist 7.54918 8.60718 9.87207 5.2323 7.47932 12.194 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 7.08557 8.76671 3.67187 10.2555 7.05653 10.611 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.87182 9.58325 5.88357 4.81796 7.02079 8.08777 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 8.99609 4.37138 7.18773 4.47004 8.08764 5.50017 numMergedOcc 0
28 mol 239 unq 2 iso 0 dist 8.99609 4.37138 7.18773 7.14566 9.01462 9.99181 numMergedOcc 0
29 mol 239 unq 3 iso 0 dist 5.95622 9.58325 9.24057 4.81796 5.88802 8.08777 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 9.34312 6.39822 4.60397 11.7017 9.71152 11.9661 numMergedOcc 0
31 mol 266 unq 1 iso 0 dist 9.34312 5.36518 5.26919 11.7017 9.71152 9.73748 numMergedOcc 0
