0 mol 2 unq 0 iso 0 dist 5.42021 5.5745 5.67638 8.5893 11.5155 8.75089 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 5.42021 5.5745 5.67638 8.29974 8.29487 8.39246 numMergedOcc 0
2 mol 2 unq 2 iso 0 dist 9.15006 5.5745 9.47807 8.5893 14.9035 8.75089 numMergedOcc 0
3 mol 2 unq 3 iso 0 dist 9.15006 5.5745 9.47807 8.29974 10.4153 8.39246 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 9.36227 7.46102 8.79328 7.96271 5.38101 4.04644 numMergedOcc 0
5 mol 8 unq 1 iso 0 dist 9.36227 9.47227 4.45895 7.96271 5.38101 4.57428 numMergedOcc 0
6 mol 8 unq 2 iso 0 dist 9.36227 9.91301 8.5845 7.96271 5.38101 8.85986 numMergedOcc 0
7 mol 14 unq 0 iso 0 dist 8.25832 6.87018 4.05028 8.97998 7.23894 3.9467 numMergedOcc 0
8 mol 33 unq 0 iso 0 dist 9.76851 7.14232 12.7013 6.11016 5.25185 7.63209 numMergedOcc 0
9 mol 44 unq 0 iso 0 dist 9.25641 9.96265 16.532 9.38647 3.51573 14.5995 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 4.67917 8.05508 5.29688 8.11934 9.75263 12.2118 numMergedOcc 0
11 mol 59 unq 1 iso 0 dist 4.67917 9.00229 11.0325 8.11934 9.75263 5.43926 numMergedOcc 0
12 mol 59 unq 2 iso 0 dist 5.81747 8.05508 12.0007 8.11934 6.8954 12.2118 numMergedOcc 0
13 mol 59 unq 3 iso 0 dist 5.81747 9.00229 10.9658 8.11934 6.8954 5.43926 numMergedOcc 0
14 mol 78 unq 0 iso 0 dist 9.84346 9.23023 7.17843 9.739 12.0321 5.40759 numMergedOcc 0
15 mol 78 unq 1 iso 0 dist 9.46472 9.23023 4.4651 9.739 8.84528 5.40759 numMergedOcc 0
16 mol 81 unq 0 iso 0 dist 5.96486 9.08307 5.65355 6.22059 3.55079 6.08849 numMergedOcc 0
17 mol 108 unq 0 iso 0 dist 9.65148 8.77983 7.84197 9.87572 14.2665 7.21429 numMergedOcc 0
18 mol 108 unq 1 iso 0 dist 9.65148 8.77983 7.84197 7.05541 4.45173 4.11354 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 8.06034 5.17585 5.48442 8.12196 11.2738 6.68847 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 7.72434 7.91337 12.3603 8.04669 4.05728 12.378 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 7.72434 7.91337 12.3603 7.46162 3.26359 12.5595 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 7.72434 6.40546 6.0968 8.04669 4.05728 8.87718 numMergedOcc 0
23 mol 119 unq 3 iso 0 dist 7.72434 6.40546 6.0968 7.46162 3.26359 4.72999 numMergedOcc 0
24 mol 127 unq 0 iso 0 dist 9.16999 9.42513 4.70935 9.91321 9.21978 12.4721 numMergedOcc 0
25 mol 132 unq 0 iso 0 dist 8.883 8.7366 12.3669 5.25894 7.23769 6.6218 numMergedOcc 0
26 mol 132 unq 1 iso 0 dist 8.883 8.25314 13.3474 8.31873 11.846 4.29956 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 7.12336 9.50322 6.26797 6.31523 9.72036 10.7358 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 7.12336 5.82404 9.73435 6.31523 9.72036 5.58281 numMergedOcc 0
29 mol 139 unq 0 iso 0 dist 8.49892 6.34417 5.30274 9.15824 9.85537 7.93652 numMergedOcc 0
30 mol 169 unq 0 iso 0 dist 8.44483 9.46833 14.0747 7.43598 10.2769 12.6178 numMergedOcc 0
31 mol 169 unq 1 iso 0 dist 9.79864 9.46833 11.1911 7.43598 6.4492 12.6178 numMergedOcc 0
32 mol 169 unq 2 iso 0 dist 9.73241 9.46833 9.31064 7.43598 8.31124 12.6178 numMergedOcc 0
33 mol 176 unq 0 iso 0 dist 9.94201 9.66407 6.1294 8.00931 8.92781 4.0303 numMergedOcc 0
34 mol 185 unq 0 iso 0 dist 9.56016 9.878 8.20407 6.83972 4.27185 4.84598 numMergedOcc 0
35 mol 185 unq 1 iso 0 dist 9.56016 9.878 8.20407 6.70069 12.2909 7.73092 numMergedOcc 0
36 mol 185 unq 2 iso 0 dist 7.92501 9.878 4.83776 6.83972 6.91571 4.84598 numMergedOcc 0
37 mol 185 unq 3 iso 0 dist 7.92501 9.878 4.83776 6.70069 3.60036 7.73092 numMergedOcc 0
38 mol 185 unq 4 iso 0 dist 8.27418 9.21149 4.83776 7.6878 6.91571 4.84598 numMergedOcc 0
39 mol 185 unq 5 iso 0 dist 8.27418 9.21149 4.83776 9.52532 3.60036 7.73092 numMergedOcc 0
40 mol 187 unq 0 iso 0 dist 7.81168 9.36086 12.368 5.14547 5.9319 6.93763 numMergedOcc 0
41 mol 249 unq 0 iso 0 dist 6.40339 6.37672 9.9244 5.68936 6.61486 5.40456 numMergedOcc 0
42 mol 251 unq 0 iso 0 dist 8.89433 8.39644 12.3975 9.29007 9.59121 7.41935 numMergedOcc 0
43 mol 251 unq 1 iso 0 dist 8.89433 9.228 7.37036 6.32455 3.43331 8.56132 numMergedOcc 0
44 mol 251 unq 2 iso 0 dist 8.89433 7.4878 8.64172 6.32455 3.43331 7.703 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 9.05363 5.90645 6.64729 4.98888 6.95971 4.51538 numMergedOcc 0
46 mol 266 unq 0 iso 0 dist 5.43053 8.12852 4.38226 9.58747 11.8782 10.4209 numMergedOcc 0
47 mol 266 unq 1 iso 0 dist 5.43053 8.12852 4.38226 7.50074 11.6181 12.6608 numMergedOcc 0
48 mol 273 unq 0 iso 0 dist 8.65593 8.57501 4.50319 9.66208 7.23337 4.89814 numMergedOcc 0
49 mol 292 unq 0 iso 0 dist 8.35169 7.53641 8.04474 8.25719 11.6201 9.6563 numMergedOcc 0
50 mol 292 unq 1 iso 0 dist 7.7557 7.53641 9.00118 8.25719 3.41551 9.6563 numMergedOcc 0
