0 mol 58 unq 0 iso 0 dist 9.33535 4.63196 8.88313 10.8928 7.57085 7.07522 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 9.33535 4.57635 5.48837 10.8928 7.57085 9.15753 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 8.26899 8.44881 8.88313 11.3177 7.57085 7.07522 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 8.26899 4.25144 5.48837 11.3177 7.57085 9.15753 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 7.87814 8.95695 5.82384 9.26357 5.34143 7.15907 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 9.2603 4.47193 9.08952 9.15979 10.669 4.70557 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 5.81965 12.3859 7.03417 10.6071 5.06359 5.32369 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 7.06013 13.4866 7.03417 11.3858 5.06359 5.32369 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 9.70512 11.3622 7.03417 13.3102 5.06359 5.32369 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 8.68821 10.5728 9.26486 13.5263 6.77746 7.93956 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 7.12609 5.74761 9.26486 9.57949 6.77746 7.93956 numMergedOcc 0
11 mol 114 unq 2 iso 0 dist 6.96442 4.97363 5.96977 11.3421 14.2871 8.61909 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 7.36119 3.79489 8.22067 9.38246 5.39126 8.90564 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 8.45368 9.90805 7.77553 11.0791 6.04429 6.8984 numMergedOcc 0
14 mol 213 unq 1 iso 0 dist 6.0965 4.67313 6.8984 9.59129 6.04429 7.77553 numMergedOcc 0
15 mol 213 unq 2 iso 0 dist 9.59129 4.67313 7.77553 6.0965 6.04429 6.8984 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 6.25105 13.8525 7.91374 10.3388 5.32617 5.69634 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 6.25105 13.8525 7.91374 10.2997 4.74042 7.35086 numMergedOcc 0
18 mol 234 unq 2 iso 0 dist 6.25105 13.8525 7.91374 11.6207 7.63571 6.81195 numMergedOcc 0
19 mol 234 unq 3 iso 0 dist 9.5707 12.7879 5.69634 7.85175 5.32617 7.91374 numMergedOcc 0
20 mol 234 unq 4 iso 0 dist 9.5707 12.7879 5.69634 12.5293 6.31377 7.35086 numMergedOcc 0
21 mol 234 unq 5 iso 0 dist 9.5707 12.7879 5.69634 10.475 9.35875 6.81195 numMergedOcc 0
22 mol 234 unq 6 iso 0 dist 7.85175 12.7879 7.91374 9.5707 5.32617 5.69634 numMergedOcc 0
23 mol 234 unq 7 iso 0 dist 7.85175 12.7879 7.91374 12.5293 4.74042 7.35086 numMergedOcc 0
24 mol 234 unq 8 iso 0 dist 7.85175 12.7879 7.91374 10.475 7.63571 6.81195 numMergedOcc 0
25 mol 234 unq 9 iso 0 dist 9.39181 11.1346 6.81195 11.8897 9.35875 5.69634 numMergedOcc 0
26 mol 234 unq 10 iso 0 dist 9.39181 11.1346 6.81195 13.0678 7.63571 7.91374 numMergedOcc 0
27 mol 234 unq 11 iso 0 dist 9.39181 11.1346 6.81195 16.1792 9.51353 7.35086 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 6.77938 5.97386 5.23503 7.76676 6.1415 9.61028 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 7.76676 5.97386 9.61028 6.77938 6.1415 5.23503 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 6.34034 7.71667 8.03604 12.4545 10.7936 5.94614 numMergedOcc 0
