0 mol 18 unq 0 iso 0 dist 8.25905 4.84965 5.03976 9.2978 5.01478 6.41856 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.25905 4.84965 5.03976 7.37356 7.04695 8.51213 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.97065 7.62792 9.08976 12.8678 11.887 7.34549 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.50453 10.3137 5.77643 12.9387 5.32981 8.16494 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 6.74716 6.01297 5.77643 10.172 5.32981 8.16494 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 6.88603 7.33525 6.11881 16.9653 13.469 9.89618 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 8.94447 8.94648 6.32393 7.2443 8.69934 9.57352 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 4.87879 4.4033 6.33375 8.94541 5.9915 6.76166 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 4.87879 4.4033 6.33375 10.5335 10.7186 7.2977 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 6.76614 9.63434 6.33375 12.3409 5.9915 6.76166 numMergedOcc 0
10 mol 134 unq 3 iso 0 dist 6.76614 9.63434 6.33375 13.9887 10.7186 7.2977 numMergedOcc 0
11 mol 134 unq 4 iso 0 dist 8.80672 12.021 6.33375 7.30919 5.9915 6.76166 numMergedOcc 0
12 mol 134 unq 5 iso 0 dist 8.80672 12.021 6.33375 10.3264 10.7186 7.2977 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 5.85439 11.2444 8.71031 8.04723 5.25267 7.14849 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 7.83547 5.84294 5.02756 12.6429 5.21956 9.23844 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 7.54327 13.9126 6.553 11.234 5.56749 4.91961 numMergedOcc 0
16 mol 234 unq 1 iso 0 dist 7.54327 13.9126 6.553 14.7133 8.0608 7.14333 numMergedOcc 0
17 mol 267 unq 0 iso 0 dist 6.87713 15.5091 9.18446 11.3997 6.45566 6.19138 numMergedOcc 0
18 mol 267 unq 1 iso 0 dist 6.87713 13.4773 6.60591 11.3997 6.45566 6.54381 numMergedOcc 0
19 mol 267 unq 2 iso 0 dist 8.87518 10.0094 9.18446 10.4269 6.45566 6.19138 numMergedOcc 0
20 mol 267 unq 3 iso 0 dist 8.87518 5.85823 6.60591 10.4269 6.45566 6.54381 numMergedOcc 0
21 mol 280 unq 0 iso 0 dist 6.78323 4.78798 7.10608 6.52188 6.24406 5.59626 numMergedOcc 0
