0 mol 24 unq 0 iso 0 dist 7.49157 6.00575 9.41655 10.7114 15.0537 9.38831 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.73794 6.00575 6.803 10.7114 12.8421 9.38831 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.23075 14.4162 8.56274 4.93188 4.21283 9.58012 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 8.95154 10.2179 9.17482 7.28416 6.37119 5.63315 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.39848 7.05402 9.82307 9.93832 6.59887 7.31982 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 9.06601 6.39411 4.72339 13.6815 6.86082 8.77841 numMergedOcc 0
6 mol 111 unq 1 iso 0 dist 5.98809 6.39411 7.21505 13.6815 10.2571 8.77841 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 4.80684 9.3046 7.62197 14.7025 10.7475 8.03035 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 7.60162 15.2217 7.62197 16.8218 10.7475 8.03035 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 8.64905 12.7056 7.22 13.4668 5.42311 5.73236 numMergedOcc 0
10 mol 143 unq 1 iso 0 dist 8.99891 10.8441 5.66207 8.41611 7.87644 5.73236 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 7.55934 7.2238 9.48674 14.7746 13.909 8.60521 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 7.55934 7.2238 9.48674 9.77552 6.69469 6.39031 numMergedOcc 0
13 mol 152 unq 2 iso 0 dist 6.79114 7.78913 5.42715 8.35555 4.78989 8.60521 numMergedOcc 0
14 mol 152 unq 3 iso 0 dist 6.79114 5.70788 7.34557 8.35555 4.78989 6.39031 numMergedOcc 0
15 mol 152 unq 4 iso 0 dist 7.59457 7.78913 9.70575 8.35555 9.43672 8.60521 numMergedOcc 0
16 mol 152 unq 5 iso 0 dist 9.00072 12.9816 9.70575 10.4911 9.43672 8.60521 numMergedOcc 0
17 mol 152 unq 6 iso 0 dist 7.55419 11.2503 9.70575 13.0858 9.43672 8.60521 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 7.93088 6.69868 5.97934 6.20182 5.21512 8.53374 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 9.19156 4.24624 7.6741 5.4969 6.41193 7.32419 numMergedOcc 0
20 mol 175 unq 1 iso 0 dist 9.19156 4.24624 7.6741 6.4318 10.568 8.31961 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 9.84566 8.41716 9.12454 13.4429 6.55448 9.05835 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 9.52922 6.66155 5.13892 6.26839 7.82899 5.52678 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 9.52922 5.4499 8.2232 6.26839 7.82899 9.81666 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 9.38984 11.971 5.78717 17.0301 10.0237 5.52678 numMergedOcc 0
25 mol 194 unq 3 iso 0 dist 9.91118 13.2864 5.78717 18.7093 10.0237 5.52678 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 6.1896 5.7776 8.98941 11.6573 9.11917 8.93185 numMergedOcc 0
27 mol 218 unq 1 iso 0 dist 6.1896 5.282 5.4621 11.6573 9.11917 8.22792 numMergedOcc 0
28 mol 218 unq 2 iso 0 dist 6.09255 5.7776 6.45381 11.6573 10.6889 8.93185 numMergedOcc 0
29 mol 218 unq 3 iso 0 dist 6.09255 5.282 8.91819 11.6573 10.6889 8.22792 numMergedOcc 0
30 mol 237 unq 0 iso 0 dist 9.7255 5.65087 8.96803 13.2536 13.4452 7.63812 numMergedOcc 0
31 mol 237 unq 1 iso 0 dist 9.7255 5.65087 8.96803 12.6098 14.1628 8.51129 numMergedOcc 0
32 mol 237 unq 2 iso 0 dist 9.14911 6.01573 9.61703 10.065 5.15592 7.31113 numMergedOcc 0
33 mol 237 unq 3 iso 0 dist 9.14911 6.01573 9.61703 12.2153 8.0982 9.84466 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 8.55044 8.24423 8.38453 16.6669 14.8966 8.55481 numMergedOcc 0
