0 mol 6 unq 0 iso 0 dist 6.8041 7.33688 9.5447 4.82562 6.94663 9.07564 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 9.03951 9.93084 6.18431 15.365 7.60549 6.77807 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.3964 5.61248 5.80953 5.65754 9.63925 7.7447 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 8.9204 5.3571 9.41017 10.3685 9.01071 5.99655 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 6.07294 6.02913 6.21128 10.9615 6.67385 7.31718 numMergedOcc 0
5 mol 41 unq 1 iso 0 dist 6.07294 6.02913 6.21128 10.7309 10.8632 5.47447 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.13535 5.75925 5.7684 4.8983 4.1846 4.27766 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 9.18097 8.08787 5.05893 7.51319 5.22259 4.29937 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 9.18097 8.08787 5.05893 8.49887 7.66499 5.37869 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 9.18097 10.4844 5.71866 7.51319 5.22259 3.65628 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 9.18097 10.4844 5.71866 8.49887 7.66499 4.05415 numMergedOcc 0
11 mol 85 unq 4 iso 0 dist 8.83135 11.053 5.05893 9.43839 5.22259 4.29937 numMergedOcc 0
12 mol 85 unq 5 iso 0 dist 8.83135 11.053 5.05893 10.329 7.66499 5.37869 numMergedOcc 0
13 mol 85 unq 6 iso 0 dist 8.83135 7.97629 5.71866 9.43839 5.22259 3.65628 numMergedOcc 0
14 mol 85 unq 7 iso 0 dist 8.83135 7.97629 5.71866 10.329 7.66499 4.05415 numMergedOcc 0
15 mol 91 unq 0 iso 0 dist 6.93893 5.09341 8.77355 8.91998 12.8723 7.71625 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 7.13064 5.84807 9.19977 8.55758 5.64998 6.67678 numMergedOcc 0
17 mol 93 unq 1 iso 0 dist 7.13064 5.84807 9.19977 7.44027 4.76749 7.24956 numMergedOcc 0
18 mol 93 unq 2 iso 0 dist 7.13064 5.84807 9.19977 13.5236 15.6931 8.28591 numMergedOcc 0
19 mol 93 unq 3 iso 0 dist 7.13064 5.84807 9.19977 12.962 14.8662 9.40687 numMergedOcc 0
20 mol 93 unq 4 iso 0 dist 7.8962 5.84807 7.28831 8.55758 4.34681 6.67678 numMergedOcc 0
21 mol 93 unq 5 iso 0 dist 7.8962 5.84807 7.28831 7.44027 5.73248 7.24956 numMergedOcc 0
22 mol 93 unq 6 iso 0 dist 7.8962 5.84807 7.28831 13.5236 13.5809 8.28591 numMergedOcc 0
23 mol 93 unq 7 iso 0 dist 7.8962 5.84807 7.28831 12.962 14.149 9.40687 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 7.50264 10.5179 7.83568 15.7708 14.5488 6.76852 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 8.46376 4.62155 7.58337 8.12558 10.3222 5.95801 numMergedOcc 0
26 mol 141 unq 1 iso 0 dist 8.46376 4.62155 7.58337 11.5996 17.5034 9.92715 numMergedOcc 0
27 mol 162 unq 0 iso 0 dist 6.80226 4.92282 8.33407 10.5872 8.40035 8.33649 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 5.4455 5.39223 4.19371 7.56217 3.7326 4.45769 numMergedOcc 0
29 mol 194 unq 1 iso 0 dist 5.4455 5.39223 4.19371 9.81055 7.29209 5.89939 numMergedOcc 0
30 mol 194 unq 2 iso 0 dist 5.4455 7.15294 9.71015 7.56217 3.7326 8.99961 numMergedOcc 0
31 mol 194 unq 3 iso 0 dist 5.4455 7.15294 9.71015 9.81055 7.29209 8.18853 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 9.54381 9.91008 9.63518 12.6543 13.8751 9.83672 numMergedOcc 0
33 mol 278 unq 0 iso 0 dist 8.30195 7.65985 7.67837 15.1083 10.7788 9.67239 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 8.67838 14.3247 8.6233 9.29687 4.30125 9.21469 numMergedOcc 0
