0 mol 21 unq 0 iso 0 dist 8.07914 7.30688 10.1117 8.60952 13.1675 7.05407 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 5.36278 8.26334 11.1943 5.3571 9.78134 5.09702 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 9.06142 6.34748 9.83589 9.17127 15.2226 7.53964 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 9.06142 6.34748 9.83589 9.46601 15.1564 5.76961 numMergedOcc 0
4 mol 56 unq 2 iso 0 dist 9.06142 8.25594 13.3076 12.0466 19.8132 8.77529 numMergedOcc 0
5 mol 56 unq 3 iso 0 dist 8.41264 6.34748 12.3293 9.17127 17.2677 7.53964 numMergedOcc 0
6 mol 56 unq 4 iso 0 dist 8.41264 6.34748 12.3293 9.46601 17.2311 5.76961 numMergedOcc 0
7 mol 56 unq 5 iso 0 dist 8.41264 8.25594 9.40102 12.0466 17.3878 8.77529 numMergedOcc 0
8 mol 66 unq 0 iso 0 dist 8.68658 7.3084 3.7783 5.64923 8.65033 9.6145 numMergedOcc 0
9 mol 66 unq 1 iso 0 dist 8.68658 7.3084 3.7783 4.23816 7.8807 8.32859 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 5.73235 6.14248 6.1999 5.69691 10.2474 9.08825 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 7.48127 6.97936 6.1999 15.0399 10.2474 9.08825 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 9.52061 8.57774 11.7456 6.57177 13.9579 8.25397 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 9.61101 9.71342 7.04681 4.46925 11.2637 8.25397 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 9.96635 9.53944 5.47558 8.17573 9.1854 9.10671 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 6.59407 6.51243 3.95884 8.39434 12.4652 9.43904 numMergedOcc 0
16 mol 162 unq 1 iso 0 dist 6.59407 6.51243 3.95884 4.92282 9.44259 7.01095 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 8.72323 5.03696 11.109 7.95609 16.1975 8.32353 numMergedOcc 0
18 mol 170 unq 0 iso 0 dist 8.10386 8.82169 5.03109 11.6479 9.66676 8.75024 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 8.92801 8.39573 3.97523 10.7348 12.7743 9.92831 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 9.40718 8.39573 9.76508 10.7348 14.0425 9.92831 numMergedOcc 0
21 mol 195 unq 0 iso 0 dist 5.61326 7.75518 4.3166 7.83764 8.84149 6.396 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 9.87574 7.7619 4.58443 8.69902 9.40433 9.91727 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 6.20044 5.81438 7.35194 5.9546 11.8392 9.26214 numMergedOcc 0
24 mol 204 unq 1 iso 0 dist 6.20044 5.81438 7.35194 5.9943 9.50364 5.00369 numMergedOcc 0
25 mol 204 unq 2 iso 0 dist 8.41232 5.81438 5.87202 5.9546 13.7325 9.26214 numMergedOcc 0
26 mol 204 unq 3 iso 0 dist 8.41232 5.81438 5.87202 5.9943 10.5885 5.00369 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 4.81837 5.63283 4.7106 6.31671 9.40312 6.40171 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 6.43519 5.63283 10.4922 6.31671 7.53734 6.40171 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 5.86911 8.44407 4.54444 5.77142 8.71354 8.25329 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 5.86911 6.0155 7.05353 5.77142 8.71354 4.85332 numMergedOcc 0
31 mol 214 unq 2 iso 0 dist 5.86911 8.89981 12.9344 11.2245 13.214 9.43017 numMergedOcc 0
32 mol 214 unq 3 iso 0 dist 7.89258 8.44407 5.33718 5.77142 9.51538 8.25329 numMergedOcc 0
33 mol 214 unq 4 iso 0 dist 7.89258 6.0155 5.12324 5.77142 9.51538 4.85332 numMergedOcc 0
34 mol 214 unq 5 iso 0 dist 7.89258 8.89981 12.8738 11.2245 16.5303 9.43017 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 7.65121 7.50697 13.6563 10.685 17.6469 6.46405 numMergedOcc 0
36 mol 273 unq 0 iso 0 dist 5.78262 6.95569 12.7125 9.73521 13.8305 9.02537 numMergedOcc 0
37 mol 273 unq 1 iso 0 dist 7.6489 6.95569 10.8576 9.73521 16.8528 9.02537 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 8.15119 9.91103 13.1828 6.65084 6.42951 7.16209 numMergedOcc 0
39 mol 277 unq 1 iso 0 dist 8.15119 7.0603 10.6994 6.65084 6.42951 4.62936 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 5.83342 9.24101 5.90311 6.03488 8.67283 7.89938 numMergedOcc 0
