0 mol 26 unq 0 iso 0 dist 5.84066 4.80984 6.73167 11.8063 10.1642 7.40948 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.39807 7.24263 6.9223 10.2461 6.02822 6.98037 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 4.44979 6.34014 9.14707 6.61111 6.70343 9.18457 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 6.61111 6.34014 9.18457 4.44979 6.70343 9.14707 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 8.91262 9.06991 7.44041 12.244 9.41803 5.43933 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 8.91262 9.06991 7.44041 13.9563 10.5905 4.99604 numMergedOcc 0
6 mol 112 unq 2 iso 0 dist 8.91262 9.06991 7.44041 15.3174 10.596 9.97483 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 6.55202 8.96522 9.6121 9.08536 12.7135 9.57341 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 6.13374 11.1324 9.57341 14.4956 12.7135 9.6121 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 9.08536 8.96522 9.57341 6.55202 12.7135 9.6121 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 6.44575 8.05714 6.99345 10.0977 6.05407 8.48313 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 6.44575 8.05714 6.99345 7.43401 5.83782 5.11043 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 7.43401 8.05714 5.11043 10.0977 10.5379 8.48313 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 7.43401 8.05714 5.11043 6.44575 5.83782 6.99345 numMergedOcc 0
14 mol 134 unq 4 iso 0 dist 6.57379 13.6926 8.48313 11.8267 6.05407 6.99345 numMergedOcc 0
15 mol 134 unq 5 iso 0 dist 6.57379 13.6926 8.48313 16.4934 10.5379 5.11043 numMergedOcc 0
16 mol 140 unq 0 iso 0 dist 6.88846 5.39245 7.19291 10.1171 6.09915 6.66504 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 7.46803 7.12863 8.68663 12.1784 9.42812 7.16698 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.25339 6.20673 6.07389 10.7045 6.05141 7.04815 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 7.10155 7.69247 6.72182 11.4718 9.10229 5.53324 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 5.87439 9.08602 6.34234 14.8033 10.558 7.87972 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 8.18059 8.18628 6.34234 12.7484 10.558 7.87972 numMergedOcc 0
22 mol 195 unq 2 iso 0 dist 9.74988 5.15519 7.87972 11.2434 10.558 6.34234 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 8.91356 16.9887 9.57955 11.0655 8.05944 8.79277 numMergedOcc 0
24 mol 225 unq 1 iso 0 dist 8.91356 8.99405 9.87668 11.0655 8.05944 8.42121 numMergedOcc 0
25 mol 225 unq 2 iso 0 dist 8.91356 8.99405 9.87668 11.5012 16.7885 7.8744 numMergedOcc 0
26 mol 225 unq 3 iso 0 dist 8.91356 8.99405 9.87668 13.9144 13.7858 4.98402 numMergedOcc 0
27 mol 225 unq 4 iso 0 dist 9.59574 15.7166 9.57955 17.3056 8.05944 8.79277 numMergedOcc 0
28 mol 225 unq 5 iso 0 dist 9.59574 18.6744 9.87668 17.3056 8.05944 8.42121 numMergedOcc 0
29 mol 225 unq 6 iso 0 dist 9.59574 18.6744 9.87668 25.0954 16.7885 7.8744 numMergedOcc 0
30 mol 225 unq 7 iso 0 dist 9.59574 18.6744 9.87668 22.2172 13.7858 4.98402 numMergedOcc 0
31 mol 260 unq 0 iso 0 dist 8.5613 4.48119 9.65775 11.4535 17.1683 9.50634 numMergedOcc 0
32 mol 260 unq 1 iso 0 dist 5.7791 5.32038 9.65775 14.574 17.1683 9.50634 numMergedOcc 0
33 mol 270 unq 0 iso 0 dist 9.04189 5.30053 7.39185 9.99709 6.67404 8.20158 numMergedOcc 0
34 mol 270 unq 1 iso 0 dist 9.51462 8.58393 8.20158 13.1629 6.67404 7.39185 numMergedOcc 0
35 mol 292 unq 0 iso 0 dist 5.84792 6.67435 9.2558 8.73515 3.57128 9.84946 numMergedOcc 0
36 mol 292 unq 1 iso 0 dist 9.08193 8.27109 9.84946 11.3039 3.57128 9.2558 numMergedOcc 0
37 mol 292 unq 2 iso 0 dist 8.73515 6.67435 9.84946 5.84792 3.57128 9.2558 numMergedOcc 0
