0 mol 44 unq 0 iso 0 dist 4.97954 9.6925 9.96265 9.20117 5.12876 9.70459 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 4.97954 9.6925 9.96265 8.72535 6.85995 7.78905 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 4.97954 9.6925 9.96265 10.4533 11.3037 9.44909 numMergedOcc 0
3 mol 44 unq 3 iso 0 dist 9.20117 9.6925 9.70459 4.97954 5.12876 9.96265 numMergedOcc 0
4 mol 44 unq 4 iso 0 dist 9.20117 9.6925 9.70459 8.72535 4.19085 7.78905 numMergedOcc 0
5 mol 44 unq 5 iso 0 dist 9.20117 9.6925 9.70459 10.4533 10.2017 9.44909 numMergedOcc 0
6 mol 44 unq 6 iso 0 dist 8.72535 9.6925 7.78905 4.97954 6.85995 9.96265 numMergedOcc 0
7 mol 44 unq 7 iso 0 dist 8.72535 9.6925 7.78905 9.20117 4.19085 9.70459 numMergedOcc 0
8 mol 44 unq 8 iso 0 dist 8.72535 9.6925 7.78905 10.4533 6.10468 9.44909 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 9.27499 9.19693 8.46556 14.0277 8.61908 7.52103 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 8.2344 12.8695 9.71952 11.2625 3.94577 7.28257 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 9.8024 6.7811 8.14096 10.5102 11.1234 8.43038 numMergedOcc 0
12 mol 167 unq 1 iso 0 dist 9.8024 6.7811 8.14096 13.6417 13.0523 9.87966 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 9.56736 7.41111 6.11137 11.4751 5.26871 5.66569 numMergedOcc 0
14 mol 236 unq 1 iso 0 dist 9.56736 11.6152 7.89744 17.273 8.96137 8.6417 numMergedOcc 0
15 mol 237 unq 0 iso 0 dist 8.13918 7.37728 9.42743 14.9923 15.4427 8.56463 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 9.70244 6.59425 7.26542 13.044 3.73926 9.53313 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 9.70244 6.59425 7.26542 13.044 3.73926 9.53313 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 9.70244 6.59425 7.26542 13.044 3.73926 9.53313 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 8.99476 12.1831 5.75596 21.6216 13.4368 9.6898 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 9.81603 13.3056 7.53641 15.0458 10.0257 9.20416 numMergedOcc 0
