0 mol 25 unq 0 iso 0 dist 9.22151 6.22122 4.33106 9.95169 5.18617 5.68041 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 6.22122 9.22151 4.33106 9.95169 5.68041 5.18617 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 6.68311 9.96602 10.1538 9.26417 4.03844 12.5604 numMergedOcc 0
3 mol 72 unq 0 iso 1 dist 9.96602 6.68311 10.1538 9.26417 12.5604 4.03844 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 6.7212 9.08821 5.82403 8.16985 7.47371 8.59184 numMergedOcc 0
5 mol 72 unq 1 iso 1 dist 9.08821 6.7212 5.82403 8.16985 8.59184 7.47371 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 6.7212 9.08821 5.82403 7.81344 9.67587 10.04 numMergedOcc 0
7 mol 72 unq 2 iso 1 dist 9.08821 6.7212 5.82403 7.81344 10.04 9.67587 numMergedOcc 0
8 mol 72 unq 3 iso 0 dist 6.7212 9.08821 5.82403 5.49421 7.07356 5.84044 numMergedOcc 0
9 mol 72 unq 3 iso 1 dist 9.08821 6.7212 5.82403 5.49421 5.84044 7.07356 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 8.53393 5.57265 6.39947 6.90069 6.00249 7.9569 numMergedOcc 0
11 mol 78 unq 0 iso 1 dist 5.57265 8.53393 6.39947 6.90069 7.9569 6.00249 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 8.96916 5.70279 5.33144 5.30117 6.30222 5.47563 numMergedOcc 0
13 mol 100 unq 0 iso 1 dist 5.70279 8.96916 5.33144 5.30117 5.47563 6.30222 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 8.84523 9.45397 4.98336 7.22752 6.35679 4.94189 numMergedOcc 0
15 mol 109 unq 0 iso 1 dist 9.45397 8.84523 4.98336 7.22752 4.94189 6.35679 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.79004 8.43069 5.61668 4.79003 6.9945 4.19723 numMergedOcc 0
17 mol 133 unq 0 iso 1 dist 8.43069 9.79004 5.61668 4.79003 4.19723 6.9945 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 8.34737 8.5163 5.62851 6.91511 4.55687 4.6764 numMergedOcc 0
19 mol 154 unq 0 iso 1 dist 8.5163 8.34737 5.62851 6.91511 4.6764 4.55687 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 9.73411 7.75485 5.60236 5.31916 7.05804 4.54188 numMergedOcc 0
21 mol 224 unq 0 iso 1 dist 7.75485 9.73411 5.60236 5.31916 4.54188 7.05804 numMergedOcc 0
22 mol 229 unq 0 iso 0 dist 8.8557 5.00457 5.57838 8.3932 4.17276 4.92403 numMergedOcc 0
23 mol 229 unq 0 iso 1 dist 5.00457 8.8557 5.57838 8.3932 4.92403 4.17276 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 4.87108 7.64276 5.34096 5.41453 6.82305 5.71717 numMergedOcc 0
25 mol 238 unq 0 iso 1 dist 7.64276 4.87108 5.34096 5.41453 5.71717 6.82305 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 5.82876 8.71129 6.15918 5.64169 5.22914 10.2884 numMergedOcc 0
27 mol 274 unq 0 iso 1 dist 8.71129 5.82876 6.15918 5.64169 10.2884 5.22914 numMergedOcc 0
