0 mol 15 unq 0 iso 0 dist 9.29358 5.89412 6.19131 9.75966 6.50647 6.03257 6.91314 9.51568 6.23015 5.20798 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 8.21493 7.07399 6.33828 4.39605 10.0974 6.03257 5.49251 10.1828 6.23015 5.20798 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.78293 7.75618 6.2337 4.97119 13.1234 9.95212 8.7083 10.1716 8.54034 9.79414 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 8.23643 7.75618 14.4867 4.97119 11.3136 9.95212 8.7083 16.2389 8.54034 9.79414 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.20943 8.40416 11.4087 4.64838 5.82366 9.95212 10.4416 14.7321 8.54034 9.79414 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 7.82528 7.75618 11.4087 4.97119 5.82366 9.95212 8.7083 14.7321 8.54034 9.79414 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 9.75144 9.01567 13.2265 6.66749 13.2857 4.2121 8.91183 16.8819 6.19899 4.08755 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 9.75144 9.01567 13.2265 6.66749 13.2857 4.2121 13.0212 18.4951 8.49709 6.86136 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 9.75144 7.29868 13.719 6.66749 13.2857 6.72323 8.91183 16.8819 6.61696 4.08755 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 9.75144 7.29868 13.719 6.66749 13.2857 6.72323 5.69214 11.8884 5.80953 10.0453 numMergedOcc 0
10 mol 26 unq 0 iso 0 dist 8.82012 6.46104 4.98603 7.23703 11.8125 6.93197 5.56139 5.84066 6.07276 10.1622 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 6.58204 7.01812 10.0891 10.6848 11.9163 9.5057 4.03277 10.259 6.59691 12.48 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 7.75343 8.30845 10.0891 15.3454 11.9163 9.5057 6.23008 10.259 6.59691 12.48 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.93764 5.9176 5.60306 6.29863 9.93639 7.22883 10.6474 10.9785 8.12266 14.2282 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 6.93764 5.9176 5.60306 6.29863 9.93639 7.22883 5.12833 10.9567 9.43306 10.273 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 6.93764 5.9176 5.60306 6.29863 9.93639 7.22883 4.61184 11.187 8.59681 5.14966 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 7.98142 5.94469 8.93991 9.69409 17.0683 9.92471 5.42158 13.3069 8.06308 5.42414 numMergedOcc 0
17 mol 181 unq 4 iso 0 dist 7.37327 5.94469 5.35588 9.69409 13.2307 9.92471 5.42158 11.4308 8.06308 5.42414 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 9.52936 6.42735 7.4793 8.08596 12.1114 7.54099 4.08775 13.0813 7.81263 7.81466 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 6.47873 8.65535 10.7231 11.6598 11.4415 6.1886 10.0756 12.0979 4.19371 4.002 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 6.47873 8.65535 10.7231 11.6598 11.4415 6.1886 16.4082 18.0358 9.71015 7.09553 numMergedOcc 0
21 mol 194 unq 2 iso 0 dist 5.48258 6.72379 4.26755 7.11753 8.52969 6.38324 4.66791 7.10155 9.00322 7.41775 numMergedOcc 0
22 mol 194 unq 3 iso 0 dist 6.15769 6.72379 10.0315 7.11753 12.9874 6.38324 4.66791 9.48418 9.00322 7.41775 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 7.07392 8.50102 10.9886 6.2188 7.10413 9.78181 9.74344 15.7309 9.9183 14.876 numMergedOcc 0
24 mol 232 unq 1 iso 0 dist 7.07392 8.50102 10.9886 12.3508 12.9353 9.8664 9.74344 15.7309 9.9183 11.2243 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 5.65339 6.21292 7.96337 7.77516 6.54825 6.94789 10.5354 12.9537 7.39085 14.2323 numMergedOcc 0
26 mol 235 unq 1 iso 0 dist 9.43058 9.21736 17.5445 11.7254 19.8998 6.94789 11.3865 17.0835 7.39085 14.2323 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.19234 9.45514 12.625 6.52035 14.1967 7.75216 12.393 12.703 7.77765 13.9324 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 9.19234 9.45514 12.625 6.52035 14.1967 7.75216 8.87855 6.66172 9.65868 10.7442 numMergedOcc 0
29 mol 274 unq 2 iso 0 dist 9.19234 6.39866 4.60275 6.16703 11.4246 6.88827 8.87855 6.66172 8.60027 13.3632 numMergedOcc 0
30 mol 274 unq 3 iso 0 dist 9.19234 6.39866 4.60275 5.64601 9.20749 9.16942 8.87855 6.66172 8.60027 5.39432 numMergedOcc 0
