0 mol 7 unq 0 iso 0 dist 8.41173 7.38748 10.1841 6.22892 6.3027 5.0893 7.15287 13.8674 6.8464 8.41585 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41173 7.38748 10.1841 6.22892 6.3027 5.0893 7.8893 15.8454 9.15183 11.659 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 5.9021 6.6051 4.86727 8.17618 7.58748 6.67154 6.98179 11.2497 9.75368 13.601 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 8.98466 6.6051 10.763 8.17618 6.89226 6.67154 6.98179 12.4753 9.75368 13.601 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 5.54343 5.33496 5.9853 6.33529 9.90876 9.15386 11.6697 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 9.86958 8.85416 5.88036 9.99634 10.8691 6.43864 10.9729 9.90876 9.15386 14.8048 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 6.65963 5.38 4.98711 4.87509 12.982 6.5087 9.66262 numMergedOcc 0
7 mol 127 unq 1 iso 0 dist 8.98151 5.83719 8.21735 8.62711 6.75619 11.2447 4.87509 12.982 6.5087 13.3014 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 6.47689 8.92801 7.11585 9.63295 5.16386 9.40823 4.681 6.43406 4.71906 9.11469 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 7.86207 8.57174 14.3078 8.9077 4.90657 13.8822 9.18635 15.7208 9.9693 14.106 numMergedOcc 0
10 mol 236 unq 0 iso 0 dist 9.13126 4.71683 8.3795 6.73134 6.0258 7.41812 5.52669 9.10613 9.44496 8.04248 numMergedOcc 0
11 mol 236 unq 1 iso 0 dist 9.13126 4.71683 8.3795 6.73134 6.0258 7.41812 7.77821 15.1991 7.87233 11.2141 numMergedOcc 0
12 mol 236 unq 2 iso 0 dist 7.6402 7.74348 13.5224 9.96011 5.32878 13.0929 6.49831 13.61 5.90804 14.3101 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 9.67877 5.09738 13.3533 9.78068 15.2652 9.04358 17.2071 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 6.08181 8.10903 10.8957 8.81059 13.8694 5.90131 9.78068 15.2652 9.04358 6.42289 numMergedOcc 0
15 mol 258 unq 2 iso 0 dist 6.08181 8.10903 10.8957 9.12006 14.0402 9.68064 9.78068 15.2652 9.04358 10.1675 numMergedOcc 0
16 mol 258 unq 3 iso 0 dist 7.70189 8.10903 5.27718 9.67877 10.4667 13.3533 9.78068 8.58088 9.04358 17.2071 numMergedOcc 0
17 mol 258 unq 4 iso 0 dist 7.70189 8.10903 5.27718 8.81059 9.22664 5.90131 9.78068 8.58088 9.04358 6.42289 numMergedOcc 0
18 mol 258 unq 5 iso 0 dist 7.70189 8.10903 5.27718 9.12006 13.0489 9.68064 9.78068 8.58088 9.04358 10.1675 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 6.41477 8.88741 10.1876 7.15785 4.50761 6.43209 6.5875 10.2386 7.30472 8.02547 numMergedOcc 0
20 mol 261 unq 1 iso 0 dist 6.41477 8.88741 10.1876 9.43169 8.80293 7.78464 6.5875 10.2386 7.30472 6.05727 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 6.12202 9.34051 10.3702 9.81087 7.96313 7.24261 7.23876 9.02749 8.88221 12.8531 numMergedOcc 0
