0 mol 8 unq 0 iso 0 dist 8.76702 6.27477 8.02605 9.69819 6.22971 10.3253 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 6.27477 8.76702 8.02605 9.69819 10.3253 6.22971 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.48453 8.80499 5.14154 7.02884 4.03817 5.12703 numMergedOcc 0
3 mol 17 unq 0 iso 1 dist 8.80499 8.48453 5.14154 7.02884 5.12703 4.03817 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 7.34019 8.43828 9.18814 7.11464 6.11846 7.3917 numMergedOcc 0
5 mol 36 unq 0 iso 1 dist 8.43828 7.34019 9.18814 7.11464 7.3917 6.11846 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 9.31319 8.2513 7.32297 6.19084 10.5906 12.8683 numMergedOcc 0
7 mol 46 unq 0 iso 1 dist 8.2513 9.31319 7.32297 6.19084 12.8683 10.5906 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 7.04193 7.15486 7.5247 9.42188 5.6342 8.2405 numMergedOcc 0
9 mol 58 unq 0 iso 1 dist 7.15486 7.04193 7.5247 9.42188 8.2405 5.6342 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 7.04193 8.52969 11.6716 9.42188 5.6342 9.11373 numMergedOcc 0
11 mol 58 unq 1 iso 1 dist 8.52969 7.04193 11.6716 9.42188 9.11373 5.6342 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 7.15486 8.52969 10.6169 9.42188 8.2405 9.11373 numMergedOcc 0
13 mol 58 unq 1 iso 1 dist 8.52969 7.15486 10.6169 9.42188 9.11373 8.2405 numMergedOcc 0
14 mol 66 unq 0 iso 0 dist 8.04639 7.69019 9.61194 5.75397 5.99928 5.61937 numMergedOcc 0
15 mol 66 unq 0 iso 1 dist 7.69019 8.04639 9.61194 5.75397 5.61937 5.99928 numMergedOcc 0
16 mol 66 unq 1 iso 0 dist 8.04639 7.69019 9.61194 9.11975 4.38694 7.22146 numMergedOcc 0
17 mol 66 unq 1 iso 1 dist 7.69019 8.04639 9.61194 9.11975 7.22146 4.38694 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 9.91446 9.26343 13.8729 6.6157 7.16919 9.75737 numMergedOcc 0
19 mol 100 unq 0 iso 1 dist 9.26343 9.91446 13.8729 6.6157 9.75737 7.16919 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 7.63658 7.65229 10.838 6.73172 5.76986 5.39346 numMergedOcc 0
21 mol 112 unq 0 iso 1 dist 7.65229 7.63658 10.838 6.73172 5.39346 5.76986 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 9.64856 6.38977 7.50824 8.74658 6.26504 7.7567 numMergedOcc 0
23 mol 131 unq 0 iso 1 dist 6.38977 9.64856 7.50824 8.74658 7.7567 6.26504 numMergedOcc 0
24 mol 131 unq 1 iso 0 dist 9.64856 9.69757 11.0599 8.74658 6.26504 8.23791 numMergedOcc 0
25 mol 131 unq 1 iso 1 dist 9.69757 9.64856 11.0599 8.74658 8.23791 6.26504 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 6.38977 9.69757 5.55373 8.74658 7.7567 8.23791 numMergedOcc 0
27 mol 131 unq 1 iso 1 dist 9.69757 6.38977 5.55373 8.74658 8.23791 7.7567 numMergedOcc 0
28 mol 141 unq 0 iso 0 dist 4.93035 9.75558 6.21253 9.14007 7.42649 9.43674 numMergedOcc 0
29 mol 141 unq 0 iso 1 dist 9.75558 4.93035 6.21253 9.14007 9.43674 7.42649 numMergedOcc 0
30 mol 148 unq 0 iso 0 dist 9.7168 7.38138 8.05787 9.92375 11.2659 4.99768 numMergedOcc 0
31 mol 148 unq 0 iso 1 dist 7.38138 9.7168 8.05787 9.92375 4.99768 11.2659 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 6.96824 9.25528 11.9017 5.6688 6.29863 5.6044 numMergedOcc 0
33 mol 181 unq 0 iso 1 dist 9.25528 6.96824 11.9017 5.6688 5.6044 6.29863 numMergedOcc 0
34 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 6.21588 5.86489 11.2903 numMergedOcc 0
35 mol 204 unq 0 iso 1 dist 6.32652 7.92766 12.5143 6.21588 11.2903 5.86489 numMergedOcc 0
36 mol 213 unq 0 iso 0 dist 9.40939 9.06306 11.2306 8.53661 8.47474 15.1193 numMergedOcc 0
37 mol 213 unq 0 iso 1 dist 9.06306 9.40939 11.2306 8.53661 15.1193 8.47474 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 9.93154 9.18218 7.43198 5.87056 6.00424 9.76735 numMergedOcc 0
39 mol 227 unq 0 iso 1 dist 9.18218 9.93154 7.43198 5.87056 9.76735 6.00424 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 9.93154 9.18218 7.43198 9.84311 10.7656 5.10635 numMergedOcc 0
41 mol 227 unq 1 iso 1 dist 9.18218 9.93154 7.43198 9.84311 5.10635 10.7656 numMergedOcc 0
42 mol 227 unq 2 iso 0 dist 9.93154 9.18218 7.43198 8.85568 10.3825 8.86483 numMergedOcc 0
43 mol 227 unq 2 iso 1 dist 9.18218 9.93154 7.43198 8.85568 8.86483 10.3825 numMergedOcc 0
44 mol 227 unq 3 iso 0 dist 9.93154 6.18486 9.51866 5.87056 6.00424 9.32448 numMergedOcc 0
45 mol 227 unq 3 iso 1 dist 6.18486 9.93154 9.51866 5.87056 9.32448 6.00424 numMergedOcc 0
46 mol 227 unq 4 iso 0 dist 9.93154 6.18486 9.51866 9.84311 10.7656 6.48027 numMergedOcc 0
47 mol 227 unq 4 iso 1 dist 6.18486 9.93154 9.51866 9.84311 6.48027 10.7656 numMergedOcc 0
48 mol 227 unq 5 iso 0 dist 9.93154 6.18486 9.51866 8.85568 10.3825 6.67321 numMergedOcc 0
49 mol 227 unq 5 iso 1 dist 6.18486 9.93154 9.51866 8.85568 6.67321 10.3825 numMergedOcc 0
50 mol 227 unq 3 iso 0 dist 9.18218 6.18486 4.48529 5.87056 9.76735 9.32448 numMergedOcc 0
51 mol 227 unq 3 iso 1 dist 6.18486 9.18218 4.48529 5.87056 9.32448 9.76735 numMergedOcc 0
52 mol 227 unq 4 iso 0 dist 9.18218 6.18486 4.48529 9.84311 5.10635 6.48027 numMergedOcc 0
53 mol 227 unq 4 iso 1 dist 6.18486 9.18218 4.48529 9.84311 6.48027 5.10635 numMergedOcc 0
54 mol 227 unq 5 iso 0 dist 9.18218 6.18486 4.48529 8.85568 8.86483 6.67321 numMergedOcc 0
55 mol 227 unq 5 iso 1 dist 6.18486 9.18218 4.48529 8.85568 6.67321 8.86483 numMergedOcc 0
56 mol 238 unq 0 iso 0 dist 9.29203 7.62771 5.40359 8.03226 10.3871 6.54814 numMergedOcc 0
57 mol 238 unq 0 iso 1 dist 7.62771 9.29203 5.40359 8.03226 6.54814 10.3871 numMergedOcc 0
58 mol 238 unq 1 iso 0 dist 9.29203 7.80166 10.0191 8.03226 10.3871 14.388 numMergedOcc 0
59 mol 238 unq 1 iso 1 dist 7.80166 9.29203 10.0191 8.03226 14.388 10.3871 numMergedOcc 0
60 mol 238 unq 1 iso 0 dist 7.62771 7.80166 10.1648 8.03226 6.54814 14.388 numMergedOcc 0
61 mol 238 unq 1 iso 1 dist 7.80166 7.62771 10.1648 8.03226 14.388 6.54814 numMergedOcc 0
62 mol 261 unq 0 iso 0 dist 7.26647 7.7309 4.63549 5.83338 7.86966 6.65675 numMergedOcc 0
63 mol 261 unq 0 iso 1 dist 7.7309 7.26647 4.63549 5.83338 6.65675 7.86966 numMergedOcc 0
64 mol 276 unq 0 iso 0 dist 7.11272 6.24808 8.84158 8.74282 6.51623 5.41235 numMergedOcc 0
65 mol 276 unq 0 iso 1 dist 6.24808 7.11272 8.84158 8.74282 5.41235 6.51623 numMergedOcc 0
66 mol 282 unq 0 iso 0 dist 7.70229 7.90792 4.66602 5.94224 8.2662 6.6348 numMergedOcc 0
67 mol 282 unq 0 iso 1 dist 7.90792 7.70229 4.66602 5.94224 6.6348 8.2662 numMergedOcc 0
