0 mol 37 unq 0 iso 0 dist 9.21102 6.84257 8.58626 9.98549 10.9726 14.1513 numMergedOcc 0
1 mol 37 unq 0 iso 1 dist 6.84257 9.21102 8.58626 9.98549 14.1513 10.9726 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 8.86053 8.76925 10.2931 7.54441 4.40395 5.93243 numMergedOcc 0
3 mol 39 unq 0 iso 1 dist 8.76925 8.86053 10.2931 7.54441 5.93243 4.40395 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 8.86053 8.76925 10.2931 9.84326 10.026 5.03446 numMergedOcc 0
5 mol 39 unq 1 iso 1 dist 8.76925 8.86053 10.2931 9.84326 5.03446 10.026 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.29755 7.4038 5.58256 8.41365 10.1493 14.043 numMergedOcc 0
7 mol 54 unq 0 iso 1 dist 7.4038 6.29755 5.58256 8.41365 14.043 10.1493 numMergedOcc 0
8 mol 71 unq 0 iso 0 dist 6.14513 7.4392 4.86089 9.27619 5.30462 9.59397 numMergedOcc 0
9 mol 71 unq 0 iso 1 dist 7.4392 6.14513 4.86089 9.27619 9.59397 5.30462 numMergedOcc 0
10 mol 99 unq 0 iso 0 dist 9.39801 4.82346 9.73996 8.86001 9.40959 6.83905 numMergedOcc 0
11 mol 99 unq 0 iso 1 dist 4.82346 9.39801 9.73996 8.86001 6.83905 9.40959 numMergedOcc 0
12 mol 99 unq 1 iso 0 dist 9.39801 8.89165 10.6378 8.86001 9.40959 8.5835 numMergedOcc 0
13 mol 99 unq 1 iso 1 dist 8.89165 9.39801 10.6378 8.86001 8.5835 9.40959 numMergedOcc 0
14 mol 99 unq 2 iso 0 dist 6.02154 8.07233 9.73996 9.36749 9.40959 6.83905 numMergedOcc 0
15 mol 99 unq 2 iso 1 dist 8.07233 6.02154 9.73996 9.36749 6.83905 9.40959 numMergedOcc 0
16 mol 99 unq 1 iso 0 dist 4.82346 8.89165 4.41001 8.86001 6.83905 8.5835 numMergedOcc 0
17 mol 99 unq 1 iso 1 dist 8.89165 4.82346 4.41001 8.86001 8.5835 6.83905 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 9.14809 6.45169 10.7259 6.66749 5.81453 6.66108 numMergedOcc 0
19 mol 131 unq 0 iso 1 dist 6.45169 9.14809 10.7259 6.66749 6.66108 5.81453 numMergedOcc 0
20 mol 140 unq 0 iso 0 dist 6.55217 7.21686 5.17212 6.29125 10.9472 8.08387 numMergedOcc 0
21 mol 140 unq 0 iso 1 dist 7.21686 6.55217 5.17212 6.29125 8.08387 10.9472 numMergedOcc 0
22 mol 151 unq 0 iso 0 dist 7.93343 5.89468 4.78271 7.48309 11.1953 11.9263 numMergedOcc 0
23 mol 151 unq 0 iso 1 dist 5.89468 7.93343 4.78271 7.48309 11.9263 11.1953 numMergedOcc 0
24 mol 172 unq 0 iso 0 dist 9.21942 7.44084 13.7364 9.4252 5.05503 12.4092 numMergedOcc 0
25 mol 172 unq 0 iso 1 dist 7.44084 9.21942 13.7364 9.4252 12.4092 5.05503 numMergedOcc 0
26 mol 172 unq 1 iso 0 dist 9.21942 7.77643 16.193 9.4252 5.05503 14.8533 numMergedOcc 0
27 mol 172 unq 1 iso 1 dist 7.77643 9.21942 16.193 9.4252 14.8533 5.05503 numMergedOcc 0
28 mol 172 unq 1 iso 0 dist 7.44084 7.77643 10.1227 9.4252 12.4092 14.8533 numMergedOcc 0
29 mol 172 unq 1 iso 1 dist 7.77643 7.44084 10.1227 9.4252 14.8533 12.4092 numMergedOcc 0
30 mol 172 unq 2 iso 0 dist 5.28889 4.90175 10.1227 8.52605 13.0424 4.71027 numMergedOcc 0
31 mol 172 unq 2 iso 1 dist 4.90175 5.28889 10.1227 8.52605 4.71027 13.0424 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 8.96263 7.35677 5.19836 8.39753 4.76056 4.1117 numMergedOcc 0
33 mol 224 unq 0 iso 1 dist 7.35677 8.96263 5.19836 8.39753 4.1117 4.76056 numMergedOcc 0
34 mol 228 unq 0 iso 0 dist 9.63694 8.06909 8.75984 7.39392 5.09026 7.86738 numMergedOcc 0
35 mol 228 unq 0 iso 1 dist 8.06909 9.63694 8.75984 7.39392 7.86738 5.09026 numMergedOcc 0
36 mol 228 unq 1 iso 0 dist 9.63694 8.06909 8.75984 9.52597 6.78075 5.07398 numMergedOcc 0
37 mol 228 unq 1 iso 1 dist 8.06909 9.63694 8.75984 9.52597 5.07398 6.78075 numMergedOcc 0
38 mol 228 unq 2 iso 0 dist 9.64659 8.22515 8.70123 7.56863 5.19012 7.98833 numMergedOcc 0
39 mol 228 unq 2 iso 1 dist 8.22515 9.64659 8.70123 7.56863 7.98833 5.19012 numMergedOcc 0
40 mol 228 unq 3 iso 0 dist 9.64659 8.22515 8.70123 9.49938 6.75223 5.16211 numMergedOcc 0
41 mol 228 unq 3 iso 1 dist 8.22515 9.64659 8.70123 9.49938 5.16211 6.75223 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 6.72105 7.96569 4.68796 6.37335 4.5928 8.16146 numMergedOcc 0
43 mol 232 unq 0 iso 1 dist 7.96569 6.72105 4.68796 6.37335 8.16146 4.5928 numMergedOcc 0
