0 mol 21 unq 0 iso 0 dist 8.07914 8.85347 4.964 7.30688 10.1117 7.08873 8.60952 13.1675 10.4972 7.05407 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 9.06142 8.125 5.73783 6.34748 9.83589 5.16401 9.17127 15.2226 11.1102 7.53964 numMergedOcc 0
2 mol 56 unq 1 iso 0 dist 9.06142 8.125 5.73783 6.34748 9.83589 5.16401 9.46601 15.1564 10.3301 5.76961 numMergedOcc 0
3 mol 56 unq 2 iso 0 dist 9.06142 8.125 5.73783 8.25594 13.3076 13.2675 12.0466 19.8132 17.5089 8.77529 numMergedOcc 0
4 mol 56 unq 3 iso 0 dist 8.41264 8.125 10.7002 6.34748 12.3293 5.16401 9.17127 17.2677 11.1102 7.53964 numMergedOcc 0
5 mol 56 unq 4 iso 0 dist 8.41264 8.125 10.7002 6.34748 12.3293 5.16401 9.46601 17.2311 10.3301 5.76961 numMergedOcc 0
6 mol 56 unq 5 iso 0 dist 8.41264 8.125 10.7002 8.25594 9.40102 13.2675 12.0466 17.3878 17.5089 8.77529 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 6.97936 6.1999 6.77898 15.0399 10.2474 15.4918 9.08825 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 6.59407 9.42819 9.00663 6.51243 3.95884 5.65603 8.39434 12.4652 7.37333 9.43904 numMergedOcc 0
9 mol 162 unq 1 iso 0 dist 6.59407 9.42819 9.00663 6.51243 3.95884 5.65603 4.92282 9.44259 7.45998 7.01095 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 8.92801 9.63295 9.40823 8.39573 3.97523 5.93724 10.7348 12.7743 10.6106 9.92831 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 9.40718 9.63295 5.32364 8.39573 9.76508 5.93724 10.7348 14.0425 10.6106 9.92831 numMergedOcc 0
12 mol 198 unq 0 iso 0 dist 9.87574 7.24395 10.0277 7.7619 4.58443 7.07534 8.69902 9.40433 14.4021 9.91727 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 4.81837 6.57849 5.47046 5.63283 4.7106 6.37317 6.31671 9.40312 8.4844 6.40171 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 6.43519 6.57849 7.78052 5.63283 10.4922 6.37317 6.31671 7.53734 8.4844 6.40171 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 5.86911 9.4835 13.1789 8.44407 4.54444 13.9529 5.77142 8.71354 10.6947 8.25329 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 5.86911 9.4835 13.1789 6.0155 7.05353 8.52282 5.77142 8.71354 10.6947 4.85332 numMergedOcc 0
17 mol 214 unq 2 iso 0 dist 5.86911 9.4835 13.1789 8.89981 12.9344 8.48942 11.2245 13.214 16.9119 9.43017 numMergedOcc 0
18 mol 214 unq 3 iso 0 dist 7.89258 9.4835 10.1543 8.44407 5.33718 13.9529 5.77142 9.51538 10.6947 8.25329 numMergedOcc 0
19 mol 214 unq 4 iso 0 dist 7.89258 9.4835 10.1543 6.0155 5.12324 8.52282 5.77142 9.51538 10.6947 4.85332 numMergedOcc 0
20 mol 214 unq 5 iso 0 dist 7.89258 9.4835 10.1543 8.89981 12.8738 8.48942 11.2245 16.5303 16.9119 9.43017 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 5.78262 6.54753 4.77695 6.95569 12.7125 12.634 9.73521 13.8305 13.0005 9.02537 numMergedOcc 0
22 mol 273 unq 1 iso 0 dist 7.6489 6.54753 9.01117 6.95569 10.8576 12.634 9.73521 16.8528 13.0005 9.02537 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 8.15119 9.84188 10.2486 9.91103 13.1828 19.0436 6.65084 6.42951 13.3371 7.16209 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 8.15119 9.84188 10.2486 7.0603 10.6994 15.7645 6.65084 6.42951 13.3371 4.62936 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 8.15119 8.35794 7.94155 9.91103 13.1828 17.6038 6.65084 6.42951 12.1398 7.16209 numMergedOcc 0
26 mol 277 unq 3 iso 0 dist 8.15119 8.35794 7.94155 7.0603 10.6994 14.772 6.65084 6.42951 12.1398 4.62936 numMergedOcc 0
