0 mol 13 unq 0 iso 0 dist 9.11704 7.84471 6.52528 12.7505 10.3024 9.45635 11.2512 5.30861 9.21911 6.95614 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.05123 7.89733 8.83891 11.7095 6.3431 8.85174 10.8743 7.49229 6.23015 10.1154 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.90896 11.5216 9.79061 5.79954 4.78435 9.73086 6.66506 5.00474 6.14542 5.11416 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.90896 11.5216 9.79061 10.4766 6.33833 7.4369 6.66506 5.00474 6.14542 6.56633 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.7142 13.0959 9.73179 12.1691 4.80624 6.72869 15.0165 7.75939 7.46095 4.85247 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.7142 13.0959 9.73179 20.8189 14.1154 9.85905 15.0165 7.75939 7.46095 6.45686 numMergedOcc 0
6 mol 170 unq 0 iso 0 dist 8.10386 11.6479 9.66676 13.9679 11.4871 9.08274 10.3411 4.11212 6.47164 9.275 numMergedOcc 0
7 mol 170 unq 1 iso 0 dist 8.10386 11.6479 9.66676 13.9679 11.4871 9.08274 16.41 9.2613 9.65126 12.5696 numMergedOcc 0
8 mol 170 unq 2 iso 0 dist 8.10386 11.6479 9.66676 13.5425 6.45787 9.51256 10.3411 4.11212 6.47164 4.34698 numMergedOcc 0
9 mol 170 unq 3 iso 0 dist 8.10386 11.6479 9.66676 13.5425 6.45787 9.51256 16.41 9.2613 9.65126 5.75144 numMergedOcc 0
10 mol 198 unq 0 iso 0 dist 9.87574 8.69902 9.40433 10.7197 9.33462 9.31526 16.0805 11.7342 8.63279 9.73871 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 8.05949 10.8542 7.80421 10.7281 5.92474 8.63693 17.1665 10.4519 9.68477 7.67559 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 8.48545 3.28983 9.993 9.27989 13.3838 6.73665 6.91534 9.08479 8.95511 11.169 numMergedOcc 0
13 mol 239 unq 1 iso 0 dist 8.48545 3.28983 9.993 9.27989 13.3838 6.73665 9.05892 15.0274 5.85002 5.88931 numMergedOcc 0
14 mol 239 unq 2 iso 0 dist 8.48545 3.28983 9.993 12.015 16.5315 9.34438 6.91534 9.08479 8.95511 18.2672 numMergedOcc 0
15 mol 239 unq 3 iso 0 dist 8.48545 3.28983 9.993 12.015 16.5315 9.34438 9.05892 15.0274 5.85002 6.22471 numMergedOcc 0
16 mol 239 unq 4 iso 0 dist 8.48545 3.28983 9.993 11.3081 10.3956 9.35949 6.91534 9.08479 8.95511 13.9678 numMergedOcc 0
17 mol 239 unq 5 iso 0 dist 8.48545 3.28983 9.993 11.3081 10.3956 9.35949 9.05892 15.0274 5.85002 9.88845 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 8.03486 4.91802 8.34313 6.47376 4.51031 6.35028 9.29922 15.4124 7.17958 12.6502 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 5.83342 7.60595 9.63325 14.7681 16.264 7.20674 13.9961 12.0583 8.62162 8.83082 numMergedOcc 0
