0 mol 12 unq 0 iso 0 dist 4.62913 7.8865 6.98179 4.60834 6.6051 9.75368 7.44542 10.1259 6.9065 8.15864 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.44542 7.8865 6.9065 4.60834 8.15864 9.75368 4.62913 10.1259 6.98179 6.6051 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.1662 8.94945 7.01367 3.86843 6.49343 5.41831 11.6253 12.2413 6.60684 9.78739 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 5.69055 5.47319 7.76775 4.2124 9.70906 7.25721 10.5634 13.4547 7.88096 9.32184 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 4.69402 5.86531 6.25005 4.98521 9.38308 9.47554 13.5394 18.1081 17.2988 8.8353 numMergedOcc 0
5 mol 236 unq 0 iso 0 dist 8.20542 5.66569 10.2557 4.60599 8.63249 5.90804 9.73914 15.386 6.49831 7.74348 numMergedOcc 0
6 mol 236 unq 1 iso 0 dist 5.6568 6.11137 6.49831 4.24722 7.74348 5.90804 12.2537 15.386 10.2557 8.63249 numMergedOcc 0
7 mol 271 unq 0 iso 0 dist 9.80493 9.56149 9.63302 5.60228 13.9636 9.42899 6.75395 5.54816 7.30308 9.50884 numMergedOcc 0
8 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 12.5633 8.15119 4.81916 16.5458 11.3688 7.44724 6.66936 numMergedOcc 0
9 mol 287 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 10.6184 5.69849 5.25077 9.18785 numMergedOcc 0
10 mol 288 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 10.6184 5.69849 5.25077 9.18785 numMergedOcc 0
11 mol 289 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 10.6184 5.69849 5.25077 9.18785 numMergedOcc 0
12 mol 293 unq 0 iso 0 dist 6.97887 6.27435 11.4201 6.74585 10.6176 5.44043 6.04186 7.34816 5.66805 4.72125 numMergedOcc 0
13 mol 293 unq 1 iso 0 dist 6.97887 6.27435 11.4201 6.74585 10.6176 5.44043 13.0622 16.0258 8.15525 7.41524 numMergedOcc 0
14 mol 293 unq 2 iso 0 dist 6.97887 6.27435 11.4201 6.74585 10.6176 5.44043 11.8289 12.6518 9.35524 6.42608 numMergedOcc 0
15 mol 293 unq 3 iso 0 dist 6.97887 6.27435 11.4201 4.13058 9.55759 9.25564 4.66962 5.85599 9.51167 6.52889 numMergedOcc 0
16 mol 293 unq 4 iso 0 dist 4.66962 6.27435 9.51167 6.74585 11.0368 5.44043 6.04186 8.64916 5.66805 4.72125 numMergedOcc 0
17 mol 293 unq 5 iso 0 dist 4.66962 6.27435 9.51167 6.74585 11.0368 5.44043 13.0622 16.5779 8.15525 7.41524 numMergedOcc 0
18 mol 293 unq 6 iso 0 dist 4.66962 6.27435 9.51167 6.74585 11.0368 5.44043 11.8289 14.9775 9.35524 6.42608 numMergedOcc 0
19 mol 293 unq 7 iso 0 dist 6.04186 6.27435 5.66805 6.74585 4.72125 5.44043 13.0622 8.71249 8.15525 7.41524 numMergedOcc 0
20 mol 293 unq 8 iso 0 dist 6.04186 6.27435 5.66805 6.74585 4.72125 5.44043 11.8289 6.3489 9.35524 6.42608 numMergedOcc 0
21 mol 293 unq 9 iso 0 dist 6.04186 6.27435 5.66805 4.13058 9.91172 9.25564 4.66962 8.64916 9.51167 6.52889 numMergedOcc 0
