0 mol 0 unq 0 iso 0 dist 9.5614 7.79534 9.46298 5.25456 7.15528 7.40865 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.04834 5.36911 6.51133 6.05535 4.7319 6.72833 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.17898 5.36911 5.30082 5.72175 5.05803 6.93532 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 5.87895 7.06532 6.38336 5.75653 7.36323 8.23446 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 6.85305 8.58962 8.04976 4.70723 9.24927 12.8665 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 8.8058 8.04272 7.04075 5.09908 8.33063 10.5084 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 8.8058 8.04272 7.04075 12.5818 6.43294 10.1323 numMergedOcc 0
7 mol 60 unq 2 iso 0 dist 8.8058 8.04272 7.04075 10.0675 8.7531 9.90939 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 5.54343 9.23947 6.21578 5.59762 9.67592 9.97159 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 5.79954 6.66506 5.11416 12.8388 9.96396 9.24757 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 5.79954 6.66506 5.11416 9.65653 9.75218 13.0145 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 5.79954 6.66506 5.11416 14.1415 9.38498 13.8696 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 9.22376 9.04728 4.65335 5.75796 7.47541 10.0796 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 9.22376 9.04728 4.65335 3.85308 7.66905 7.54568 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 9.22376 9.04728 4.65335 9.77828 5.73196 9.39864 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 7.76275 7.01545 7.0785 13.1838 9.36773 14.9941 numMergedOcc 0
16 mol 88 unq 1 iso 0 dist 7.76275 7.01545 7.0785 12.6939 8.31336 15.1191 numMergedOcc 0
17 mol 102 unq 0 iso 0 dist 9.0361 9.2062 4.48396 7.49575 7.36792 9.24642 numMergedOcc 0
18 mol 125 unq 0 iso 0 dist 9.63302 7.00113 7.43922 6.06241 8.62381 7.73435 numMergedOcc 0
19 mol 125 unq 1 iso 0 dist 9.63302 9.85979 11.0769 6.06241 8.62381 9.3778 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 6.6776 8.79832 8.29015 13.7028 9.0018 10.4182 numMergedOcc 0
21 mol 175 unq 1 iso 0 dist 6.6776 8.79832 8.29015 10.4662 5.6234 11.6765 numMergedOcc 0
22 mol 175 unq 2 iso 0 dist 6.6776 8.79832 8.29015 7.42609 6.57069 9.77896 numMergedOcc 0
23 mol 188 unq 0 iso 0 dist 7.63268 9.26919 6.38128 7.63236 9.96154 14.8779 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 7.7292 8.82861 5.86489 13.4646 7.10633 11.5776 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 7.7292 8.82861 5.86489 9.54287 8.51516 7.32294 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 8.9077 7.46122 7.11498 10.6943 9.23153 6.59716 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 8.9077 7.46122 7.11498 15.396 8.24498 13.1498 numMergedOcc 0
28 mol 230 unq 0 iso 0 dist 8.33847 8.85051 5.0515 7.37154 6.7547 10.3657 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 9.27989 6.91534 11.169 12.1502 6.16342 11.308 numMergedOcc 0
30 mol 239 unq 1 iso 0 dist 9.27989 8.67704 14.8007 12.1502 6.16342 16.382 numMergedOcc 0
31 mol 253 unq 0 iso 0 dist 8.53729 9.29788 5.78064 16.1265 9.02271 13.07 numMergedOcc 0
32 mol 253 unq 1 iso 0 dist 7.80525 8.64294 11.5361 4.84708 7.32223 13.1856 numMergedOcc 0
33 mol 253 unq 2 iso 0 dist 7.71295 8.64294 10.8836 4.84708 8.31064 13.1856 numMergedOcc 0
34 mol 253 unq 3 iso 0 dist 7.71295 8.64294 10.8836 6.27022 6.73034 11.0244 numMergedOcc 0
35 mol 253 unq 4 iso 0 dist 8.07341 9.50983 5.78064 16.581 9.02271 13.07 numMergedOcc 0
36 mol 256 unq 0 iso 0 dist 8.43264 7.54955 5.28793 6.19628 8.29103 9.4406 numMergedOcc 0
37 mol 261 unq 0 iso 0 dist 7.6414 6.45102 6.18925 13.6041 8.45658 13.1245 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 8.3291 9.35929 6.11414 6.98398 9.10818 13.2932 numMergedOcc 0
39 mol 279 unq 0 iso 0 dist 5.17586 9.24164 11.5885 5.9229 9.70696 13.4978 numMergedOcc 0
