0 mol 7 unq 0 iso 0 dist 4.47024 6.26213 9.5325 4.91115 8.60435 6.15313 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 7.26523 4.82016 6.6345 12.9719 8.00369 9.13852 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.91206 10.7405 8.39494 6.41591 7.62738 13.4867 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.67513 11.5055 8.39494 9.55939 7.62738 13.4867 numMergedOcc 0
4 mol 105 unq 0 iso 0 dist 5.74652 4.15778 8.66946 7.94584 7.71923 8.62526 numMergedOcc 0
5 mol 105 unq 1 iso 0 dist 5.74652 4.15778 8.66946 8.50137 9.87821 9.71724 numMergedOcc 0
6 mol 105 unq 2 iso 0 dist 5.74652 4.15778 8.66946 8.65154 7.09806 11.7138 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.08671 8.55838 8.71813 6.21014 6.76575 6.12935 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 7.73842 5.50163 5.5606 14.9324 9.35942 9.72019 numMergedOcc 0
9 mol 158 unq 0 iso 0 dist 7.24115 7.70151 6.64084 9.21335 6.76055 4.57581 numMergedOcc 0
10 mol 158 unq 1 iso 0 dist 7.24115 7.70151 6.64084 13.1807 9.36343 11.2833 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 9.05206 12.1997 5.6524 11.9731 5.57779 4.36112 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 9.05206 12.1997 5.6524 10.4089 7.05649 10.7545 numMergedOcc 0
13 mol 210 unq 2 iso 0 dist 9.05206 12.1997 5.6524 4.78637 6.78579 10.4519 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 9.3439 12.0722 7.14271 9.91189 6.51288 4.33033 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 9.3439 10.8016 7.4083 9.91189 6.51288 9.70769 numMergedOcc 0
16 mol 220 unq 2 iso 0 dist 9.3439 4.07704 8.24411 9.91189 6.51288 8.47293 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 9.04499 4.98993 5.98014 13.0565 9.08955 10.3035 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 9.04499 4.98993 5.98014 15.9525 8.88664 13.4152 numMergedOcc 0
19 mol 222 unq 2 iso 0 dist 9.04499 4.98993 5.98014 15.2255 7.16819 11.5963 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 8.84798 17.447 9.56438 10.8394 9.30921 11.1913 numMergedOcc 0
