0 mol 10 unq 0 iso 0 dist 7.82875 7.76433 6.02543 10.5356 6.18431 9.61828 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 7.92518 11.3434 6.41793 6.8989 6.13351 5.14532 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 5.95472 11.4033 7.56029 9.80375 6.21128 4.85777 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 5.95472 11.4033 7.56029 11.3535 9.57024 4.02147 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.47162 4.66422 5.17145 10.5011 8.4701 9.43915 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 6.30814 6.15669 8.04168 9.40625 6.5551 10.6438 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 6.6536 13.4686 7.34602 6.24821 8.06134 12.2538 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 6.6536 13.4686 7.34602 6.74235 5.36587 8.49846 numMergedOcc 0
8 mol 159 unq 0 iso 0 dist 9.45909 9.94088 6.07821 17.2892 9.35202 7.97232 numMergedOcc 0
9 mol 170 unq 0 iso 0 dist 9.66676 11.0716 5.13268 4.11212 6.47164 7.29587 numMergedOcc 0
10 mol 170 unq 1 iso 0 dist 9.66676 11.0716 5.13268 9.2613 9.65126 8.73585 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.84679 5.74351 8.31881 9.12063 6.88127 6.16503 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 9.20541 4.52076 6.34234 8.71774 6.22742 6.0634 numMergedOcc 0
13 mol 195 unq 1 iso 0 dist 6.65077 4.52076 7.87972 7.07871 9.24936 11.4252 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 8.565 8.93439 8.54702 8.65179 5.05368 10.0385 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 9.993 12.7949 8.88763 9.08479 8.95511 16.7674 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 9.993 12.7949 8.88763 15.0274 5.85002 9.48848 numMergedOcc 0
17 mol 239 unq 2 iso 0 dist 9.993 10.4475 6.43209 9.08479 8.95511 13.3917 numMergedOcc 0
18 mol 239 unq 3 iso 0 dist 9.993 10.4475 6.43209 15.0274 5.85002 6.77384 numMergedOcc 0
19 mol 239 unq 4 iso 0 dist 9.993 5.68875 8.48769 9.08479 8.95511 9.38172 numMergedOcc 0
20 mol 239 unq 5 iso 0 dist 9.993 5.68875 8.48769 15.0274 5.85002 11.9537 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 8.34313 10.4013 5.81528 15.4124 7.17958 8.43508 numMergedOcc 0
