0 mol 11 unq 0 iso 0 dist 4.79838 7.5901 9.81983 9.58844 9.89425 9.74251 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.56614 5.48936 7.37118 10.4688 6.52283 10.3779 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.16443 12.9941 7.11491 8.78858 7.78689 8.23404 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 4.53565 8.24402 5.82264 8.48136 7.7927 5.50677 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 4.53565 8.24402 5.82264 6.27695 6.17378 3.90503 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 4.53565 4.40229 8.56365 8.48136 7.7927 11.8248 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 4.53565 4.40229 8.56365 6.27695 6.17378 9.10288 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 7.08628 13.0328 7.1829 8.51227 7.70645 8.13327 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 9.03391 11.5435 8.75957 6.06742 9.41463 10.0092 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 8.98478 8.88332 6.41008 9.74222 9.10675 5.45005 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 9.11491 6.49291 6.86517 4.1859 9.04293 3.99035 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 9.11491 6.49291 6.86517 8.68431 4.78333 4.53016 numMergedOcc 0
12 mol 79 unq 2 iso 0 dist 9.11491 7.82761 8.33791 4.1859 9.04293 6.69352 numMergedOcc 0
13 mol 79 unq 3 iso 0 dist 9.11491 7.82761 8.33791 8.68431 4.78333 6.0749 numMergedOcc 0
14 mol 79 unq 4 iso 0 dist 7.90338 5.97134 6.2576 6.25647 7.92114 4.03842 numMergedOcc 0
15 mol 79 unq 5 iso 0 dist 7.90338 5.97134 6.2576 5.72646 8.18375 3.81317 numMergedOcc 0
16 mol 79 unq 6 iso 0 dist 7.90338 9.00783 8.96069 6.25647 7.92114 10.6312 numMergedOcc 0
17 mol 79 unq 7 iso 0 dist 7.90338 9.00783 8.96069 5.72646 8.18375 4.08868 numMergedOcc 0
18 mol 79 unq 8 iso 0 dist 7.90338 4.52595 7.56495 6.25647 7.92114 9.78235 numMergedOcc 0
19 mol 79 unq 9 iso 0 dist 7.90338 4.52595 7.56495 5.72646 8.18375 6.06691 numMergedOcc 0
20 mol 79 unq 10 iso 0 dist 5.82384 8.45612 7.38548 6.19285 4.74254 6.0749 numMergedOcc 0
21 mol 79 unq 11 iso 0 dist 7.15907 4.58851 7.38548 4.47084 4.74254 6.0749 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 5.61151 5.75469 9.13593 7.2898 4.29937 10.797 numMergedOcc 0
23 mol 85 unq 1 iso 0 dist 5.61151 5.75469 9.13593 4.13305 3.65628 7.04693 numMergedOcc 0
24 mol 85 unq 2 iso 0 dist 5.61151 5.75469 9.13593 6.42723 9.77774 6.7475 numMergedOcc 0
25 mol 85 unq 3 iso 0 dist 6.54289 5.75469 8.25144 7.2898 5.37869 10.797 numMergedOcc 0
26 mol 85 unq 4 iso 0 dist 6.54289 5.75469 8.25144 4.13305 4.05415 7.04693 numMergedOcc 0
27 mol 85 unq 5 iso 0 dist 6.54289 5.75469 8.25144 6.42723 9.97944 6.7475 numMergedOcc 0
28 mol 85 unq 6 iso 0 dist 7.52869 7.66862 8.25144 8.37735 5.37869 10.797 numMergedOcc 0
29 mol 85 unq 7 iso 0 dist 7.52869 7.66862 8.25144 6.66973 4.05415 7.04693 numMergedOcc 0
30 mol 85 unq 8 iso 0 dist 7.52869 7.66862 8.25144 13.5088 9.97944 6.7475 numMergedOcc 0
31 mol 85 unq 9 iso 0 dist 9.18945 11.7978 8.25144 6.17924 5.37869 10.797 numMergedOcc 0
32 mol 85 unq 10 iso 0 dist 9.18945 11.7978 8.25144 7.15173 4.05415 7.04693 numMergedOcc 0
33 mol 85 unq 11 iso 0 dist 9.18945 11.7978 8.25144 16.574 9.97944 6.7475 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 7.46819 4.61633 9.57429 9.29837 7.14813 9.90428 numMergedOcc 0
35 mol 101 unq 0 iso 0 dist 8.35515 7.83985 9.44645 9.00107 9.33112 14.6961 numMergedOcc 0
36 mol 123 unq 0 iso 0 dist 8.53618 12.1983 7.30244 9.7027 4.14492 10.9073 numMergedOcc 0
37 mol 186 unq 0 iso 0 dist 6.24036 4.47395 5.25762 11.1693 9.34653 12.7314 numMergedOcc 0
38 mol 205 unq 0 iso 0 dist 9.81165 10.5686 6.81516 10.9008 7.88986 5.19196 numMergedOcc 0
39 mol 205 unq 1 iso 0 dist 7.74029 11.9538 5.59832 9.116 4.97301 5.28417 numMergedOcc 0
40 mol 205 unq 2 iso 0 dist 7.74029 10.5686 9.17562 9.116 4.97301 7.25932 numMergedOcc 0
41 mol 213 unq 0 iso 0 dist 6.8984 10.5013 8.59946 4.31175 9.02881 8.99471 numMergedOcc 0
42 mol 213 unq 1 iso 0 dist 7.77553 9.93085 8.59946 4.89372 9.02881 8.99471 numMergedOcc 0
43 mol 214 unq 0 iso 0 dist 7.72298 10.8576 8.41013 7.451 6.50654 3.94038 numMergedOcc 0
44 mol 254 unq 0 iso 0 dist 6.59989 8.57314 9.31434 5.91806 5.6417 3.91259 numMergedOcc 0
45 mol 254 unq 1 iso 0 dist 6.59989 8.57314 9.31434 5.04088 7.42831 5.53173 numMergedOcc 0
46 mol 285 unq 0 iso 0 dist 6.01404 4.39689 8.79261 4.3249 4.27826 6.3633 numMergedOcc 0
