0 mol 20 unq 0 iso 0 dist 9.25342 7.54952 9.35248 5.06894 7.61139 4.90916 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.25342 7.54952 9.35248 9.95303 6.54552 6.3965 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.25342 13.9462 9.55415 5.06894 7.61139 9.45728 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 9.25342 13.9462 9.55415 9.95303 6.54552 4.76485 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 6.00504 4.42987 7.75667 5.34976 8.03914 8.8955 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 6.37408 9.04231 6.88786 4.60844 6.37273 6.56256 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 8.08934 4.82413 9.73488 4.84655 5.80074 4.16694 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.42102 14.6425 6.36178 15.0846 5.79157 3.37815 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.42102 14.6425 6.36178 13.2897 7.91605 10.0381 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 9.42102 14.6425 6.36178 14.1134 6.43707 5.09707 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 8.86576 5.95873 9.28585 9.91837 8.48639 5.82228 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 8.11757 6.69503 6.78043 13.0751 8.67475 7.18067 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 8.11757 7.80674 5.74364 13.0751 8.67475 5.74315 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 9.74552 13.9243 9.22427 5.13506 8.3656 13.5761 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 9.3072 11.075 5.55129 8.23396 5.20262 5.4632 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 9.86146 14.0913 9.32504 5.16426 8.44633 13.6344 numMergedOcc 0
16 mol 150 unq 1 iso 0 dist 8.78461 10.4943 5.53778 7.40922 5.21792 5.36078 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 9.64653 4.44269 5.79753 8.61074 8.18029 8.31631 numMergedOcc 0
18 mol 197 unq 1 iso 0 dist 9.64653 12.7925 7.56537 8.61074 8.18029 5.38951 numMergedOcc 0
19 mol 217 unq 0 iso 0 dist 7.19347 9.47932 5.89788 10.0267 5.27487 3.59923 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 8.71376 5.71204 8.65696 6.70989 9.21416 6.45776 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 5.47932 5.05894 6.71398 3.35321 5.38046 6.08388 numMergedOcc 0
22 mol 235 unq 1 iso 0 dist 9.37896 4.27313 6.44932 7.95447 8.31344 4.46929 numMergedOcc 0
23 mol 273 unq 0 iso 0 dist 8.24507 13.9951 8.78928 4.3735 5.63226 13.255 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 9.94289 7.84027 8.92332 8.29235 7.02131 10.9968 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 9.94289 7.84027 8.92332 11.5319 6.79765 12.7808 numMergedOcc 0
26 mol 292 unq 2 iso 0 dist 9.94289 7.84027 8.92332 11.4161 6.13272 9.55943 numMergedOcc 0
27 mol 292 unq 3 iso 0 dist 9.94289 7.84027 8.92332 10.6086 7.02679 6.65781 numMergedOcc 0
28 mol 292 unq 4 iso 0 dist 9.94289 7.84027 8.92332 5.2803 9.08889 4.00064 numMergedOcc 0
