0 mol 17 unq 0 iso 0 dist 6.53817 9.78918 5.67637 11.2244 8.58312 7.8304 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.53817 6.80314 4.03817 11.2244 8.58312 5.74567 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 9.81769 9.78918 9.78461 11.2244 9.52965 7.8304 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 9.81769 6.80314 5.12703 11.2244 9.52965 5.74567 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 5.54343 9.23947 6.21578 8.45243 8.75668 5.94373 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 7.76275 7.01545 7.0785 6.09578 11.3747 8.20319 numMergedOcc 0
6 mol 124 unq 0 iso 0 dist 7.23052 9.18949 14.8831 6.05119 13.2096 8.24653 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 9.63302 7.00113 7.43922 11.663 16.657 9.94322 numMergedOcc 0
8 mol 125 unq 1 iso 0 dist 9.63302 7.00113 7.43922 9.39493 12.6769 8.35871 numMergedOcc 0
9 mol 125 unq 2 iso 0 dist 9.63302 9.85979 11.0769 12.7481 18.1325 8.74577 numMergedOcc 0
10 mol 125 unq 3 iso 0 dist 9.63302 9.85979 11.0769 11.663 16.657 9.7728 numMergedOcc 0
11 mol 125 unq 4 iso 0 dist 9.63302 9.85979 11.0769 9.39493 12.6769 6.75122 numMergedOcc 0
12 mol 140 unq 0 iso 0 dist 9.41832 6.58859 11.9251 6.00504 8.67876 9.04575 numMergedOcc 0
13 mol 140 unq 1 iso 0 dist 5.44596 6.58859 8.5945 6.00504 9.11235 9.04575 numMergedOcc 0
14 mol 140 unq 2 iso 0 dist 9.69069 6.58859 6.84624 6.00504 8.15118 9.04575 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 8.34161 7.23059 8.22911 8.54694 13.9189 6.69487 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 6.95381 7.23059 10.1352 8.54694 13.7111 6.69487 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 8.15223 8.54006 11.5958 7.07921 14.0919 6.5739 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 6.01711 6.4751 11.5561 6.01258 9.48418 8.29782 numMergedOcc 0
19 mol 171 unq 1 iso 0 dist 6.01711 5.75085 10.844 8.73818 13.5708 7.61144 numMergedOcc 0
20 mol 173 unq 0 iso 0 dist 8.84671 9.31172 13.2996 11.5983 16.2892 8.14167 numMergedOcc 0
21 mol 174 unq 0 iso 0 dist 8.4931 5.07761 7.29873 9.22406 14.7488 7.54918 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 7.7292 8.82861 5.86489 15.6012 9.44947 7.59757 numMergedOcc 0
23 mol 204 unq 1 iso 0 dist 6.27396 8.82861 11.2903 15.6012 18.8751 7.59757 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 8.9077 7.46122 7.11498 6.68491 10.2501 4.54224 numMergedOcc 0
25 mol 271 unq 0 iso 0 dist 8.32351 5.75889 5.53238 5.20921 11.2198 6.85471 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 5.17586 9.24164 11.5885 7.77606 9.24472 8.07169 numMergedOcc 0
