0 mol 19 unq 0 iso 0 dist 7.14945 5.6031 5.53102 10.0338 3.86173 6.41656 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 7.14945 5.6031 5.53102 10.9249 5.46754 8.54034 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 6.50337 8.7083 5.53102 10.3056 3.86173 6.41656 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 6.50337 8.7083 5.53102 7.75618 5.46754 8.54034 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 9.4228 4.95725 6.29237 6.09764 7.3057 7.14069 numMergedOcc 0
5 mol 20 unq 1 iso 0 dist 9.4228 5.84217 9.24286 6.09764 7.3057 8.58641 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.07553 5.11636 8.21811 8.60554 11.3314 5.80953 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.07553 4.79736 7.73513 8.44664 7.262 9.98592 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 8.80127 5.50396 8.70016 8.23446 12.6622 4.44526 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 8.80127 5.50396 8.70016 8.75662 7.63657 9.586 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 8.80127 13.6174 5.13078 8.4051 3.4435 5.80953 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 6.48457 14.4081 8.70016 17.6854 12.6622 4.44526 numMergedOcc 0
12 mol 24 unq 6 iso 0 dist 6.48457 14.4081 8.70016 9.44691 7.63657 9.586 numMergedOcc 0
13 mol 24 unq 7 iso 0 dist 6.48457 5.11636 5.13078 8.60554 3.4435 5.80953 numMergedOcc 0
14 mol 68 unq 0 iso 0 dist 9.18809 7.50975 6.33905 10.629 13.6446 7.98985 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 4.69674 4.03844 7.52245 9.27838 11.7291 6.91169 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 5.62694 6.41115 8.31317 10.9586 13.9203 5.7684 numMergedOcc 0
17 mol 91 unq 0 iso 0 dist 9.61935 7.35297 5.97918 16.0303 11.0296 8.77355 numMergedOcc 0
18 mol 107 unq 0 iso 0 dist 7.02709 12.9752 9.37159 16.009 11.2991 5.33764 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 5.82487 8.01602 6.03035 14.1308 8.69658 9.30645 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 8.20715 6.20019 4.22806 11.5311 6.65893 8.67537 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 6.16081 4.39676 4.22806 6.73586 6.65893 8.67537 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.75049 13.7612 5.47256 5.87634 5.21958 8.83732 numMergedOcc 0
23 mol 158 unq 0 iso 0 dist 9.74081 13.7172 9.16332 14.6377 11.4872 9.97968 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 6.40086 5.83175 8.60053 6.02296 5.78036 9.18728 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 6.40086 5.83175 8.60053 9.74265 14.7628 8.91971 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 6.38733 7.40852 9.03266 11.0831 9.96528 8.09509 numMergedOcc 0
