0 mol 0 unq 0 iso 0 dist 8.24206 9.5614 13.3337 7.79534 6.63977 9.46298 5.25456 7.37981 7.15528 7.40865 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.19218 9.5614 6.83587 7.79534 4.76647 9.46298 5.25456 7.19621 7.15528 7.40865 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.31149 9.04834 9.14256 5.36911 4.74317 6.51133 6.05535 10.2723 4.7319 6.72833 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 9.31149 8.17898 7.59626 5.36911 4.74317 5.30082 5.72175 10.6144 5.05803 6.93532 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 9.54864 8.8058 6.0993 8.04272 5.86954 7.04075 5.09908 11.9912 8.33063 10.5084 numMergedOcc 0
5 mol 60 unq 1 iso 0 dist 9.54864 8.8058 6.0993 8.04272 5.86954 7.04075 12.5818 11.8302 6.43294 10.1323 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 9.54864 8.8058 6.0993 8.04272 5.86954 7.04075 10.0675 13.4395 8.7531 9.90939 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 6.08228 5.54343 5.33496 9.23947 11.3115 6.21578 5.59762 11.6303 9.67592 9.97159 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 8.63522 9.0361 10.2218 9.2062 6.69798 4.48396 7.49575 12.8661 7.36792 9.24642 numMergedOcc 0
9 mol 102 unq 1 iso 0 dist 5.43401 9.0361 8.17186 9.2062 5.6591 4.48396 7.49575 9.10229 7.36792 9.24642 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 7.46122 4.39102 7.11498 10.6943 9.8711 9.23153 6.59716 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 7.86207 8.9077 4.90657 7.46122 4.39102 7.11498 15.396 12.6756 8.24498 13.1498 numMergedOcc 0
12 mol 230 unq 0 iso 0 dist 6.88683 8.33847 6.87235 8.85051 5.50843 5.0515 7.37154 11.1105 6.7547 10.3657 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 8.34832 9.27989 11.4465 6.91534 15.1473 11.169 12.1502 15.8376 6.16342 11.308 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 8.34832 9.27989 11.4465 8.67704 16.5164 14.8007 12.1502 15.8376 6.16342 16.382 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 9.58767 8.07341 11.4733 9.50983 7.48646 5.78064 16.581 19.9111 9.02271 13.07 numMergedOcc 0
16 mol 261 unq 0 iso 0 dist 9.70222 7.6414 11.544 6.45102 5.48108 6.18925 13.6041 17.2791 8.45658 13.1245 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 6.44266 8.3291 6.57235 9.35929 10.3973 6.11414 6.98398 7.80446 9.10818 13.2932 numMergedOcc 0
18 mol 274 unq 1 iso 0 dist 8.75703 8.3291 4.97216 9.35929 5.43792 6.11414 6.98398 9.91395 9.10818 13.2932 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 8.57035 5.17586 6.03718 9.24164 9.43169 11.5885 5.9229 14.3672 9.70696 13.4978 numMergedOcc 0
