0 mol 26 unq 0 iso 0 dist 8.63881 5.60332 6.15893 7.30207 5.497 4.36675 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 8.63881 7.30207 5.497 5.60332 6.15893 4.36675 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.33901 5.3241 6.15893 6.30968 5.497 4.36675 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 9.33901 6.30968 5.497 5.3241 6.15893 4.36675 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.53262 8.43904 9.33027 4.81608 7.32707 6.47508 numMergedOcc 0
5 mol 34 unq 0 iso 1 dist 9.53262 4.81608 7.32707 8.43904 9.33027 6.47508 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 9.53262 8.43904 9.33027 10.5063 7.90574 9.35568 numMergedOcc 0
7 mol 34 unq 1 iso 1 dist 9.53262 10.5063 7.90574 8.43904 9.33027 9.35568 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 9.53262 4.81608 7.32707 10.5063 7.90574 5.79796 numMergedOcc 0
9 mol 34 unq 1 iso 1 dist 9.53262 10.5063 7.90574 4.81608 7.32707 5.79796 numMergedOcc 0
10 mol 41 unq 0 iso 0 dist 9.22814 4.65104 6.73801 14.2155 6.42834 10.1421 numMergedOcc 0
11 mol 41 unq 0 iso 1 dist 9.22814 14.2155 6.42834 4.65104 6.73801 10.1421 numMergedOcc 0
12 mol 87 unq 0 iso 0 dist 9.53368 4.99645 7.2268 6.39199 9.69219 5.17492 numMergedOcc 0
13 mol 87 unq 0 iso 1 dist 9.53368 6.39199 9.69219 4.99645 7.2268 5.17492 numMergedOcc 0
14 mol 87 unq 1 iso 0 dist 6.54532 5.42671 9.28624 4.99645 8.31175 6.04216 numMergedOcc 0
15 mol 87 unq 1 iso 1 dist 6.54532 4.99645 8.31175 5.42671 9.28624 6.04216 numMergedOcc 0
16 mol 87 unq 2 iso 0 dist 9.64421 10.6701 7.2268 14.3657 9.69219 5.17492 numMergedOcc 0
17 mol 87 unq 2 iso 1 dist 9.64421 14.3657 9.69219 10.6701 7.2268 5.17492 numMergedOcc 0
18 mol 87 unq 3 iso 0 dist 6.72471 7.79329 7.2268 9.7513 9.69219 5.17492 numMergedOcc 0
19 mol 87 unq 3 iso 1 dist 6.72471 9.7513 9.69219 7.79329 7.2268 5.17492 numMergedOcc 0
20 mol 126 unq 0 iso 0 dist 8.62574 9.50242 7.36017 4.61044 5.14819 6.71205 numMergedOcc 0
21 mol 126 unq 0 iso 1 dist 8.62574 4.61044 5.14819 9.50242 7.36017 6.71205 numMergedOcc 0
22 mol 126 unq 1 iso 0 dist 8.62574 9.50242 7.36017 6.44454 6.84245 10.7821 numMergedOcc 0
23 mol 126 unq 1 iso 1 dist 8.62574 6.44454 6.84245 9.50242 7.36017 10.7821 numMergedOcc 0
24 mol 126 unq 1 iso 0 dist 8.62574 4.61044 5.14819 6.44454 6.84245 4.32209 numMergedOcc 0
25 mol 126 unq 1 iso 1 dist 8.62574 6.44454 6.84245 4.61044 5.14819 4.32209 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 7.46812 9.68947 6.51868 5.10826 7.34698 7.33253 numMergedOcc 0
27 mol 133 unq 0 iso 1 dist 7.46812 5.10826 7.34698 9.68947 6.51868 7.33253 numMergedOcc 0
28 mol 141 unq 0 iso 0 dist 6.27859 4.1584 4.25566 9.5453 7.31037 6.33946 numMergedOcc 0
29 mol 141 unq 0 iso 1 dist 6.27859 9.5453 7.31037 4.1584 4.25566 6.33946 numMergedOcc 0
30 mol 141 unq 1 iso 0 dist 8.37295 4.11501 8.75562 7.22151 8.00449 4.27704 numMergedOcc 0
31 mol 141 unq 1 iso 1 dist 8.37295 7.22151 8.00449 4.11501 8.75562 4.27704 numMergedOcc 0
32 mol 148 unq 0 iso 0 dist 9.21934 4.74651 8.73468 9.03832 9.73927 4.32771 numMergedOcc 0
33 mol 148 unq 0 iso 1 dist 9.21934 9.03832 9.73927 4.74651 8.73468 4.32771 numMergedOcc 0
34 mol 150 unq 0 iso 0 dist 9.13113 4.75241 8.73558 9.0892 9.66129 4.39943 numMergedOcc 0
35 mol 150 unq 0 iso 1 dist 9.13113 9.0892 9.66129 4.75241 8.73558 4.39943 numMergedOcc 0
36 mol 173 unq 0 iso 0 dist 9.71921 4.24035 8.41245 5.66096 6.64779 7.69792 numMergedOcc 0
37 mol 173 unq 0 iso 1 dist 9.71921 5.66096 6.64779 4.24035 8.41245 7.69792 numMergedOcc 0
38 mol 237 unq 0 iso 0 dist 6.56421 6.45163 5.98039 5.11844 9.48932 5.62416 numMergedOcc 0
39 mol 237 unq 0 iso 1 dist 6.56421 5.11844 9.48932 6.45163 5.98039 5.62416 numMergedOcc 0
