0 mol 17 unq 0 iso 0 dist 9.54285 6.67987 9.5937 11.074 6.53817 10.1064 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.54285 6.67987 9.5937 10.1562 9.81769 11.3627 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 9.54285 9.81441 7.34681 11.074 6.53817 13.5023 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 9.54285 9.81441 7.34681 10.1562 9.81769 15.703 numMergedOcc 0
4 mol 22 unq 0 iso 0 dist 7.74523 6.86436 9.32616 4.62118 8.0931 7.32832 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 5.75102 12.2856 8.92529 12.5726 8.21553 6.10737 numMergedOcc 0
6 mol 71 unq 1 iso 0 dist 5.75102 12.2856 8.92529 8.943 8.22762 6.78097 numMergedOcc 0
7 mol 71 unq 2 iso 0 dist 8.80254 14.1584 8.92529 12.1296 8.21553 6.10737 numMergedOcc 0
8 mol 71 unq 3 iso 0 dist 8.80254 14.1584 8.92529 8.50849 8.22762 6.78097 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.15982 11.2753 6.54778 6.29844 5.97879 5.0333 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 6.78551 11.7558 8.9864 8.69043 9.69673 9.33442 numMergedOcc 0
11 mol 124 unq 0 iso 0 dist 6.31232 8.28232 7.18976 6.27128 7.23052 5.1738 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 9.10144 5.36829 6.94745 10.3663 6.495 5.28089 numMergedOcc 0
13 mol 132 unq 1 iso 0 dist 9.10144 5.36829 6.94745 9.16496 9.43748 4.50065 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 4.46578 10.008 8.76088 6.89903 8.96061 8.99025 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 6.6514 8.3419 7.20545 6.7811 8.58946 4.70374 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 9.58783 11.4343 9.11481 7.2363 8.8573 5.06947 numMergedOcc 0
17 mol 168 unq 1 iso 0 dist 6.89643 5.8891 7.41092 7.53367 9.35182 5.06947 numMergedOcc 0
18 mol 174 unq 0 iso 0 dist 9.14165 9.23787 7.27146 5.25601 8.4931 4.74974 numMergedOcc 0
19 mol 174 unq 1 iso 0 dist 9.14165 4.98201 6.25798 5.25601 8.4931 6.97243 numMergedOcc 0
20 mol 182 unq 0 iso 0 dist 7.03216 4.60682 8.27913 7.48422 9.36307 8.27268 numMergedOcc 0
21 mol 189 unq 0 iso 0 dist 9.20296 8.18227 6.38294 6.67182 8.57361 6.35993 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 8.74957 4.61344 9.87574 7.19115 7.24395 10.0277 numMergedOcc 0
23 mol 198 unq 1 iso 0 dist 7.91967 9.72265 9.87574 9.88249 7.24395 10.0277 numMergedOcc 0
24 mol 198 unq 2 iso 0 dist 7.83611 17.1351 9.87574 12.0915 7.24395 10.0277 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 9.66533 13.587 4.36421 11.4345 7.77535 7.98893 numMergedOcc 0
26 mol 276 unq 0 iso 0 dist 5.71066 6.62682 9.87655 5.95336 8.95876 11.5806 numMergedOcc 0
27 mol 276 unq 1 iso 0 dist 5.71066 6.62682 9.87655 6.64138 8.259 6.7181 numMergedOcc 0
28 mol 276 unq 2 iso 0 dist 9.69468 11.3715 9.87655 12.4704 8.95876 11.5806 numMergedOcc 0
29 mol 276 unq 3 iso 0 dist 9.69468 11.3715 9.87655 5.77738 8.259 6.7181 numMergedOcc 0
30 mol 284 unq 0 iso 0 dist 5.62295 10.8669 7.74965 12.4046 8.08993 4.76222 numMergedOcc 0
31 mol 284 unq 1 iso 0 dist 5.62295 10.8669 7.74965 10.5879 7.34344 13.4636 numMergedOcc 0
