0 mol 6 unq 0 iso 0 dist 6.8041 4.82562 6.94663 7.33688 9.5447 9.07564 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.3964 5.65754 9.63925 5.61248 5.80953 7.7447 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.90581 7.88072 5.6849 4.5844 11.8596 8.67216 numMergedOcc 0
3 mol 37 unq 0 iso 0 dist 8.37816 4.07334 5.48483 10.9062 14.1405 9.59073 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 6.8073 7.49794 13.357 11.3706 16.0533 7.70645 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 6.42242 8.26877 13.697 12.0497 16.2743 7.78689 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 5.60663 7.49794 6.34854 11.3706 12.7381 7.70645 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 5.55574 6.89855 7.1742 5.74753 11.0636 8.78414 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.3768 4.8983 4.39723 5.75925 8.34295 4.27766 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.13535 4.8983 4.1846 5.75925 5.7684 4.27766 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 7.99438 6.65972 10.2709 11.5374 16.9526 9.04293 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 7.99438 6.65972 10.2709 5.21981 10.8539 4.78333 numMergedOcc 0
12 mol 79 unq 2 iso 0 dist 7.99438 4.2253 6.1647 5.21981 10.8539 4.74254 numMergedOcc 0
13 mol 79 unq 3 iso 0 dist 6.64915 6.65972 9.87964 11.5374 14.2209 9.04293 numMergedOcc 0
14 mol 79 unq 4 iso 0 dist 6.64915 6.65972 9.87964 5.21981 8.50427 4.78333 numMergedOcc 0
15 mol 79 unq 5 iso 0 dist 6.64915 4.2253 4.31939 5.21981 8.50427 4.74254 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 8.08787 5.05893 4.29937 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 9.18097 7.51319 5.22259 10.4844 5.71866 3.65628 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 9.18097 7.51319 5.22259 16.4231 11.3323 9.77774 numMergedOcc 0
19 mol 85 unq 3 iso 0 dist 9.18097 8.49887 7.66499 8.08787 5.05893 5.37869 numMergedOcc 0
20 mol 85 unq 4 iso 0 dist 9.18097 8.49887 7.66499 10.4844 5.71866 4.05415 numMergedOcc 0
21 mol 85 unq 5 iso 0 dist 9.18097 8.49887 7.66499 16.4231 11.3323 9.97944 numMergedOcc 0
22 mol 85 unq 6 iso 0 dist 8.83135 9.43839 5.22259 11.053 5.05893 4.29937 numMergedOcc 0
23 mol 85 unq 7 iso 0 dist 8.83135 9.43839 5.22259 7.97629 5.71866 3.65628 numMergedOcc 0
24 mol 85 unq 8 iso 0 dist 8.83135 9.43839 5.22259 5.46713 11.3323 9.77774 numMergedOcc 0
25 mol 91 unq 0 iso 0 dist 6.93893 8.91998 12.8723 5.09341 8.77355 7.71625 numMergedOcc 0
26 mol 93 unq 0 iso 0 dist 7.13064 8.55758 5.64998 5.84807 9.19977 6.67678 numMergedOcc 0
27 mol 93 unq 1 iso 0 dist 7.13064 7.44027 4.76749 5.84807 9.19977 7.24956 numMergedOcc 0
28 mol 93 unq 2 iso 0 dist 7.8962 8.55758 4.34681 5.84807 7.28831 6.67678 numMergedOcc 0
29 mol 93 unq 3 iso 0 dist 7.8962 7.44027 5.73248 5.84807 7.28831 7.24956 numMergedOcc 0
30 mol 141 unq 0 iso 0 dist 8.46376 8.12558 10.3222 4.62155 7.58337 5.95801 numMergedOcc 0
31 mol 152 unq 0 iso 0 dist 8.49831 8.09561 5.83776 14.2685 12.8145 8.60651 numMergedOcc 0
32 mol 158 unq 0 iso 0 dist 8.07946 9.27714 11.5349 11.3047 16.4693 6.77583 numMergedOcc 0
33 mol 194 unq 0 iso 0 dist 8.09776 7.56217 12.7379 5.39223 9.64441 4.45769 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 8.09776 7.56217 12.7379 7.15294 13.1921 8.99961 numMergedOcc 0
35 mol 194 unq 2 iso 0 dist 8.09776 9.81055 15.4151 5.39223 9.64441 5.89939 numMergedOcc 0
36 mol 194 unq 3 iso 0 dist 8.09776 9.81055 15.4151 7.15294 13.1921 8.18853 numMergedOcc 0
37 mol 194 unq 4 iso 0 dist 5.4455 7.56217 3.7326 5.39223 4.19371 4.45769 numMergedOcc 0
38 mol 194 unq 5 iso 0 dist 5.4455 7.56217 3.7326 7.15294 9.71015 8.99961 numMergedOcc 0
39 mol 194 unq 6 iso 0 dist 5.4455 9.81055 7.29209 5.39223 4.19371 5.89939 numMergedOcc 0
40 mol 194 unq 7 iso 0 dist 5.4455 9.81055 7.29209 7.15294 9.71015 8.18853 numMergedOcc 0
41 mol 204 unq 0 iso 0 dist 9.23676 8.77524 3.85186 5.9943 9.94968 7.33774 numMergedOcc 0
42 mol 252 unq 0 iso 0 dist 7.60896 9.09279 10.3958 15.5357 16.842 9.81261 numMergedOcc 0
43 mol 253 unq 0 iso 0 dist 8.64294 9.80396 5.35601 12.9816 11.206 9.454 numMergedOcc 0
44 mol 254 unq 0 iso 0 dist 7.28781 9.84028 11.9238 8.2786 13.3341 5.6417 numMergedOcc 0
45 mol 254 unq 1 iso 0 dist 7.28781 9.84028 11.9238 5.20737 11.1806 7.42831 numMergedOcc 0
46 mol 285 unq 0 iso 0 dist 6.46935 4.95596 9.60745 5.62841 11.1524 4.27826 numMergedOcc 0
47 mol 285 unq 1 iso 0 dist 6.46935 6.3508 12.3762 5.62841 11.1524 5.82074 numMergedOcc 0
48 mol 292 unq 0 iso 0 dist 8.67838 9.29687 4.30125 14.3247 8.6233 9.21469 numMergedOcc 0
