0 mol 83 unq 0 iso 0 dist 7.69755 5.60542 9.64197 10.7694 9.55089 10.9198 numMergedOcc 0
1 mol 83 unq 0 iso 1 dist 9.64197 5.60542 7.69755 10.9198 9.55089 10.7694 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 7.4113 14.951 8.53631 3.97585 9.00059 14.6592 numMergedOcc 0
3 mol 114 unq 0 iso 1 dist 8.53631 14.951 7.4113 14.6592 9.00059 3.97585 numMergedOcc 0
4 mol 114 unq 1 iso 0 dist 7.4113 14.951 8.53631 14.7066 9.87517 11.153 numMergedOcc 0
5 mol 114 unq 1 iso 1 dist 8.53631 14.951 7.4113 11.153 9.87517 14.7066 numMergedOcc 0
6 mol 114 unq 2 iso 0 dist 7.4113 14.951 8.53631 10.8705 7.90713 10.046 numMergedOcc 0
7 mol 114 unq 2 iso 1 dist 8.53631 14.951 7.4113 10.046 7.90713 10.8705 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 7.50959 10.7404 5.24948 5.47516 7.78914 11.0725 numMergedOcc 0
9 mol 120 unq 0 iso 1 dist 5.24948 10.7404 7.50959 11.0725 7.78914 5.47516 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 7.50959 10.7404 5.24948 11.9801 9.35938 5.42805 numMergedOcc 0
11 mol 120 unq 1 iso 1 dist 5.24948 10.7404 7.50959 5.42805 9.35938 11.9801 numMergedOcc 0
12 mol 251 unq 0 iso 0 dist 8.15014 10.4247 6.06154 7.92068 6.63516 11.4966 numMergedOcc 0
13 mol 251 unq 0 iso 1 dist 6.06154 10.4247 8.15014 11.4966 6.63516 7.92068 numMergedOcc 0
14 mol 253 unq 0 iso 0 dist 6.93942 5.50591 9.31626 8.79627 9.137 5.05272 numMergedOcc 0
15 mol 253 unq 0 iso 1 dist 9.31626 5.50591 6.93942 5.05272 9.137 8.79627 numMergedOcc 0
16 mol 253 unq 1 iso 0 dist 9.05161 5.50591 9.77366 8.79627 8.0127 5.05272 numMergedOcc 0
17 mol 253 unq 1 iso 1 dist 9.77366 5.50591 9.05161 5.05272 8.0127 8.79627 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 5.94328 5.64447 7.91978 5.52381 9.33223 6.0296 numMergedOcc 0
19 mol 258 unq 0 iso 1 dist 7.91978 5.64447 5.94328 6.0296 9.33223 5.52381 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 4.95415 10.1294 6.38519 9.62862 7.66814 5.25529 numMergedOcc 0
21 mol 266 unq 0 iso 1 dist 6.38519 10.1294 4.95415 5.25529 7.66814 9.62862 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 9.31611 10.6227 6.25845 4.38561 9.7875 10.9625 numMergedOcc 0
23 mol 287 unq 0 iso 1 dist 6.25845 10.6227 9.31611 10.9625 9.7875 4.38561 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 9.31611 10.6227 6.25845 4.38561 9.7875 10.9625 numMergedOcc 0
25 mol 288 unq 0 iso 1 dist 6.25845 10.6227 9.31611 10.9625 9.7875 4.38561 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 9.31611 10.6227 6.25845 4.38561 9.7875 10.9625 numMergedOcc 0
27 mol 289 unq 0 iso 1 dist 6.25845 10.6227 9.31611 10.9625 9.7875 4.38561 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 9.25289 11.7204 9.29687 12.618 7.89784 16.1645 numMergedOcc 0
29 mol 292 unq 0 iso 1 dist 9.29687 11.7204 9.25289 16.1645 7.89784 12.618 numMergedOcc 0
30 mol 292 unq 1 iso 0 dist 9.25289 11.7204 9.29687 6.84871 7.83983 6.27756 numMergedOcc 0
31 mol 292 unq 1 iso 1 dist 9.29687 11.7204 9.25289 6.27756 7.83983 6.84871 numMergedOcc 0
