0 mol 62 unq 0 iso 0 dist 5.78968 5.95499 6.35789 3.86946 8.7531 5.94657 numMergedOcc 0
1 mol 62 unq 1 iso 0 dist 5.78968 5.95499 6.35789 10.4041 7.25138 13.0684 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 5.16558 10.3712 8.34804 7.68524 8.4702 8.43533 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 7.17678 5.85799 5.69055 6.25587 5.75135 4.08651 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 6.02644 4.34451 5.37819 5.74216 8.14427 5.63423 numMergedOcc 0
5 mol 147 unq 0 iso 0 dist 6.28769 4.67675 9.21476 7.56825 8.76449 9.03848 numMergedOcc 0
6 mol 147 unq 1 iso 0 dist 6.28769 4.67675 9.21476 5.56838 8.36182 5.58015 numMergedOcc 0
7 mol 151 unq 0 iso 0 dist 8.25396 6.50161 5.62891 5.81096 6.12972 4.5975 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 8.30966 5.60671 5.28423 10.7623 9.28062 7.01747 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 7.69136 6.42399 5.28423 5.63285 9.28062 7.01747 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 8.56204 9.59994 8.18148 3.86496 7.33643 11.5931 numMergedOcc 0
11 mol 183 unq 0 iso 0 dist 8.53483 16.8409 9.15795 13.7852 7.16035 7.09962 numMergedOcc 0
12 mol 183 unq 1 iso 0 dist 8.53483 16.8409 9.15795 9.09406 6.2675 10.5443 numMergedOcc 0
13 mol 183 unq 2 iso 0 dist 8.58404 10.5692 9.15795 11.9399 7.16035 7.09962 numMergedOcc 0
14 mol 183 unq 3 iso 0 dist 8.58404 10.5692 9.15795 9.29513 6.2675 10.5443 numMergedOcc 0
15 mol 183 unq 4 iso 0 dist 8.1126 10.5692 8.72128 11.9399 9.61725 7.09962 numMergedOcc 0
16 mol 183 unq 5 iso 0 dist 8.1126 10.5692 8.72128 9.29513 9.52042 10.5443 numMergedOcc 0
17 mol 185 unq 0 iso 0 dist 6.06763 5.30867 8.2968 8.94859 9.1549 5.55352 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 9.86936 4.95809 8.65468 8.19691 8.60252 6.60058 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 7.79013 14.6126 8.96917 11.3639 8.49869 5.1104 numMergedOcc 0
20 mol 241 unq 1 iso 0 dist 9.33399 6.51459 8.96917 6.51662 8.49869 5.1104 numMergedOcc 0
21 mol 247 unq 0 iso 0 dist 8.72346 15.2632 8.21164 9.41036 4.78189 6.27547 numMergedOcc 0
22 mol 247 unq 1 iso 0 dist 8.72346 7.69735 8.40674 9.41036 4.78189 7.88685 numMergedOcc 0
23 mol 247 unq 2 iso 0 dist 8.72346 11.2472 6.09851 9.41036 4.78189 8.43878 numMergedOcc 0
24 mol 247 unq 3 iso 0 dist 7.39069 12.8925 8.21164 11.1225 4.78189 6.27547 numMergedOcc 0
25 mol 247 unq 4 iso 0 dist 7.39069 15.565 8.40674 11.1225 4.78189 7.88685 numMergedOcc 0
26 mol 247 unq 5 iso 0 dist 7.39069 4.25301 6.09851 11.1225 4.78189 8.43878 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 8.88961 5.52829 8.55037 11.7154 7.48987 13.8815 numMergedOcc 0
28 mol 294 unq 1 iso 0 dist 8.88961 5.52829 8.55037 9.30905 8.35637 12.3727 numMergedOcc 0
29 mol 294 unq 2 iso 0 dist 8.88961 12.1577 5.71656 11.7154 7.48987 5.13965 numMergedOcc 0
30 mol 294 unq 3 iso 0 dist 8.88961 12.1577 5.71656 9.30905 8.35637 7.32602 numMergedOcc 0
