0 mol 68 unq 0 iso 0 dist 5.94459 10.4143 7.65992 4.60844 8.05514 8.42586 numMergedOcc 0
1 mol 74 unq 0 iso 0 dist 5.50438 7.50546 8.46846 8.78588 7.94725 13.5316 numMergedOcc 0
2 mol 74 unq 1 iso 0 dist 5.50438 5.35086 7.37827 8.78588 7.94725 4.43101 numMergedOcc 0
3 mol 74 unq 2 iso 0 dist 8.97568 10.8695 8.46846 13.0366 7.94725 13.5316 numMergedOcc 0
4 mol 74 unq 3 iso 0 dist 8.97568 9.38181 7.37827 13.0366 7.94725 4.43101 numMergedOcc 0
5 mol 74 unq 4 iso 0 dist 6.2442 9.76443 9.9321 4.4368 6.3567 8.23298 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 5.9819 14.1105 9.67948 10.5025 5.43933 7.04523 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 5.9819 14.1105 9.67948 9.50897 4.99604 6.74766 numMergedOcc 0
8 mol 112 unq 2 iso 0 dist 5.9819 14.1105 9.67948 13.6247 9.97483 7.65123 numMergedOcc 0
9 mol 112 unq 3 iso 0 dist 5.9819 14.1105 9.67948 4.9759 7.44041 12.703 numMergedOcc 0
10 mol 112 unq 4 iso 0 dist 5.9819 12.1557 6.55773 10.5025 5.43933 6.00039 numMergedOcc 0
11 mol 112 unq 5 iso 0 dist 5.9819 12.1557 6.55773 9.50897 4.99604 3.50778 numMergedOcc 0
12 mol 112 unq 6 iso 0 dist 5.9819 12.1557 6.55773 13.6247 9.97483 10.0699 numMergedOcc 0
13 mol 112 unq 7 iso 0 dist 5.9819 12.1557 6.55773 4.9759 7.44041 12.7907 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.08064 12.611 7.83401 10.9048 9.05336 9.97336 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 7.87322 13.3382 7.55147 9.92222 7.17037 4.93673 numMergedOcc 0
16 mol 176 unq 0 iso 0 dist 7.77488 12.1513 7.91764 16.5611 9.79338 7.0718 numMergedOcc 0
17 mol 176 unq 1 iso 0 dist 7.77488 7.21682 7.72366 16.5611 9.79338 11.9775 numMergedOcc 0
18 mol 176 unq 2 iso 0 dist 7.77488 13.2138 8.84411 16.5611 9.79338 11.0966 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 9.44744 10.7442 9.00798 16.3896 9.39658 7.92795 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 5.84259 12.3631 7.47128 5.87335 9.30437 16.7369 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 9.03362 9.25629 6.06813 12.0738 8.63072 4.52839 numMergedOcc 0
22 mol 278 unq 1 iso 0 dist 9.03362 9.25629 6.06813 14.2932 7.59696 5.48402 numMergedOcc 0
23 mol 284 unq 0 iso 0 dist 8.79958 8.82182 5.71854 16.3287 9.07503 10.3623 numMergedOcc 0
24 mol 284 unq 1 iso 0 dist 8.79958 8.82182 5.71854 15.4224 7.63256 7.89015 numMergedOcc 0
25 mol 284 unq 2 iso 0 dist 8.79958 12.397 7.66625 16.3287 9.07503 5.26543 numMergedOcc 0
26 mol 284 unq 3 iso 0 dist 8.79958 12.397 7.66625 15.4224 7.63256 6.6556 numMergedOcc 0
