0 mol 7 unq 0 iso 0 dist 9.26914 12.1468 7.10621 13.4261 5.72491 5.44992 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.83265 6.69737 8.70481 17.0376 8.85586 14.8866 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.83265 6.69737 8.70481 11.2939 7.11 8.05119 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 8.79958 8.55171 9.33898 4.33609 6.61823 6.08245 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 8.79958 8.55171 9.33898 11.6235 6.49956 6.86728 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 8.79958 8.36426 9.64443 4.33609 6.61823 7.24315 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 8.79958 8.36426 9.64443 11.6235 6.49956 12.163 numMergedOcc 0
7 mol 92 unq 4 iso 0 dist 9.18852 16.05 9.33898 10.7845 6.61823 6.08245 numMergedOcc 0
8 mol 92 unq 5 iso 0 dist 9.18852 16.05 9.33898 12.581 6.49956 6.86728 numMergedOcc 0
9 mol 92 unq 6 iso 0 dist 9.18852 5.89198 9.64443 10.7845 6.61823 7.24315 numMergedOcc 0
10 mol 92 unq 7 iso 0 dist 9.18852 5.89198 9.64443 12.581 6.49956 12.163 numMergedOcc 0
11 mol 94 unq 0 iso 0 dist 9.91121 4.07853 7.89459 8.53647 9.97569 5.60279 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 6.929 6.28185 8.58044 4.63339 8.89913 5.54205 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 5.8729 9.80725 8.69985 6.32773 5.34214 9.14441 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 5.43031 5.21064 7.71338 5.82866 6.47042 10.0814 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 9.20372 4.88092 8.40312 10.3994 8.86329 5.89022 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 6.65519 4.88092 6.85062 13.103 9.29384 9.32969 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 5.44721 5.0869 6.29155 5.90908 6.76699 5.74088 numMergedOcc 0
18 mol 142 unq 0 iso 0 dist 6.90378 8.11604 9.2313 11.2897 9.17106 12.6057 numMergedOcc 0
19 mol 142 unq 1 iso 0 dist 6.90378 5.39629 7.73169 11.2897 9.17106 8.38032 numMergedOcc 0
20 mol 142 unq 2 iso 0 dist 6.90378 5.4779 8.96657 11.2897 9.17106 8.16815 numMergedOcc 0
21 mol 180 unq 0 iso 0 dist 8.31244 6.84196 9.62337 8.1783 9.18528 8.66662 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 7.84754 14.7198 9.02271 9.24824 7.77998 13.6942 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 6.71362 9.60213 9.02271 9.98564 7.77998 13.6942 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.07855 15.5856 7.46176 16.5695 8.55558 5.60748 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 5.50002 10.4754 9.97651 5.79919 9.19033 10.26 numMergedOcc 0
26 mol 272 unq 1 iso 0 dist 5.50002 12.6468 8.46116 5.79919 9.19033 13.5034 numMergedOcc 0
