0 mol 48 unq 0 iso 0 dist 5.35252 9.38206 4.91651 6.39496 8.80801 11.8971 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 5.66803 8.61926 4.56868 10.8544 7.03264 9.14856 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 8.80824 8.81198 5.13314 5.14617 6.42762 5.52706 numMergedOcc 0
3 mol 127 unq 0 iso 0 dist 7.93793 5.45159 8.53498 4.24061 8.59279 8.20636 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.76088 6.61636 12.398 13.0543 6.00667 14.006 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 8.76088 6.61636 12.398 8.08082 8.00919 8.25207 numMergedOcc 0
6 mol 206 unq 0 iso 0 dist 9.42047 9.5964 8.42007 4.85877 8.75124 11.7631 numMergedOcc 0
7 mol 214 unq 0 iso 0 dist 4.36421 6.96139 10.6276 6.3445 9.16249 10.369 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 5.25149 5.00266 4.51612 6.555 7.81237 10.0817 numMergedOcc 0
9 mol 220 unq 1 iso 0 dist 8.6368 5.00266 8.8105 14.0074 9.33769 16.6404 numMergedOcc 0
10 mol 220 unq 2 iso 0 dist 8.6368 5.00266 8.8105 12.2375 6.25503 13.3958 numMergedOcc 0
11 mol 220 unq 3 iso 0 dist 6.50756 9.49722 7.8513 6.25318 9.21798 14.3313 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 9.01071 4.57548 11.2678 6.54029 8.45305 5.73804 numMergedOcc 0
13 mol 239 unq 1 iso 0 dist 8.86185 4.57548 4.81796 13.9599 8.39251 11.9213 numMergedOcc 0
14 mol 239 unq 2 iso 0 dist 8.86185 4.57548 4.81796 6.54029 8.99865 5.73804 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 8.58092 6.73928 11.8838 5.52381 9.12231 12.027 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 8.8646 5.45375 8.73313 15.7187 8.67354 15.9401 numMergedOcc 0
17 mol 266 unq 1 iso 0 dist 8.8646 9.9145 13.3737 15.7187 8.67354 21.6374 numMergedOcc 0
18 mol 293 unq 0 iso 0 dist 4.72125 5.50284 5.86908 9.12667 8.98365 13.3178 numMergedOcc 0
19 mol 293 unq 1 iso 0 dist 4.72125 8.88355 10.4612 9.12667 8.98365 17.8317 numMergedOcc 0
