0 mol 30 unq 0 iso 0 dist 8.51496 8.98564 5.58618 7.5925 10.0692 7.3557 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.27409 8.55202 4.07933 14.9502 10.386 7.57749 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.06974 7.31989 3.98261 7.27494 13.1576 9.62411 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.4486 7.32064 8.39195 3.93133 10.079 4.62314 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 9.4486 5.24136 7.90926 3.93133 10.079 4.41745 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 9.4486 5.85007 7.71963 3.93133 10.079 6.35234 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.25249 7.34638 11.5696 4.24815 10.3592 6.0995 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.94696 5.08983 3.92737 9.29713 8.55509 5.33961 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 5.94696 5.08983 3.92737 12.4118 12.4401 9.29816 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 5.37302 6.12348 3.84573 11.0841 8.47541 7.2672 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 8.47541 7.2672 3.84573 11.0841 5.37302 6.12348 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 7.6005 9.87191 3.82942 4.61575 8.7583 9.21528 numMergedOcc 0
12 mol 116 unq 1 iso 0 dist 8.7583 9.21528 3.82942 4.61575 7.6005 9.87191 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 8.87314 9.67042 5.53655 3.57533 10.2256 9.01072 numMergedOcc 0
14 mol 128 unq 1 iso 0 dist 8.87314 9.67042 5.53655 14.512 10.733 7.11781 numMergedOcc 0
15 mol 128 unq 2 iso 0 dist 8.87314 9.67042 5.53655 8.45681 9.38436 8.77539 numMergedOcc 0
16 mol 128 unq 3 iso 0 dist 8.87314 7.95999 10.4634 10.0842 12.5952 9.45412 numMergedOcc 0
17 mol 128 unq 4 iso 0 dist 9.38436 8.77539 5.53655 8.45681 8.87314 9.67042 numMergedOcc 0
18 mol 128 unq 5 iso 0 dist 9.38436 8.77539 5.53655 7.50392 10.2256 9.01072 numMergedOcc 0
19 mol 128 unq 6 iso 0 dist 9.38436 8.77539 5.53655 8.7293 10.733 7.11781 numMergedOcc 0
20 mol 169 unq 0 iso 0 dist 5.51388 6.27683 3.95773 11.0771 8.68909 7.1757 numMergedOcc 0
21 mol 169 unq 1 iso 0 dist 8.68909 7.1757 3.95773 11.0771 5.51388 6.27683 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 7.23557 6.41148 9.86388 4.20051 8.86587 5.06713 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 8.86587 5.06713 9.86388 4.20051 7.23557 6.41148 numMergedOcc 0
24 mol 223 unq 0 iso 0 dist 7.81769 9.6936 3.86668 4.00983 7.66694 9.36733 numMergedOcc 0
25 mol 223 unq 1 iso 0 dist 7.66694 9.36733 3.86668 4.00983 7.81769 9.6936 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 8.37379 9.49163 5.8463 3.94159 10.831 9.99149 numMergedOcc 0
