0 mol 33 unq 0 iso 0 dist 7.89306 6.23577 4.64187 8.36697 4.43305 7.95437 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 8.36697 6.23577 7.95437 7.89306 4.43305 4.64187 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.32525 12.2859 9.63906 9.05444 3.20411 7.71872 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 9.05444 12.2859 7.71872 9.32525 3.20411 9.63906 numMergedOcc 0
4 mol 68 unq 2 iso 0 dist 5.26566 9.4465 8.71074 13.8811 12.8321 5.64092 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 6.65972 5.21981 4.78333 4.2253 5.63083 4.74254 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 4.2253 5.21981 4.74254 6.65972 5.63083 4.78333 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 7.69755 4.93836 5.35861 11.7964 5.72008 8.61641 numMergedOcc 0
8 mol 83 unq 1 iso 0 dist 9.64197 8.82563 5.35861 11.9669 5.72008 8.61641 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 8.66427 12.4236 5.37869 10.9038 2.58673 4.29937 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 8.66427 9.61831 4.05415 10.9038 2.58673 3.65628 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 8.66427 11.3963 9.97944 10.9038 2.58673 9.77774 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 7.51319 8.08787 4.29937 8.49887 2.58673 5.37869 numMergedOcc 0
13 mol 85 unq 4 iso 0 dist 7.51319 10.4844 3.65628 8.49887 2.58673 4.05415 numMergedOcc 0
14 mol 85 unq 5 iso 0 dist 7.51319 16.4231 9.77774 8.49887 2.58673 9.97944 numMergedOcc 0
15 mol 85 unq 6 iso 0 dist 8.49887 8.08787 5.37869 7.51319 2.58673 4.29937 numMergedOcc 0
16 mol 85 unq 7 iso 0 dist 8.49887 10.4844 4.05415 7.51319 2.58673 3.65628 numMergedOcc 0
17 mol 85 unq 8 iso 0 dist 8.49887 16.4231 9.97944 7.51319 2.58673 9.77774 numMergedOcc 0
18 mol 85 unq 9 iso 0 dist 9.43839 11.053 4.29937 10.329 2.58673 5.37869 numMergedOcc 0
19 mol 85 unq 10 iso 0 dist 9.43839 7.97629 3.65628 10.329 2.58673 4.05415 numMergedOcc 0
20 mol 85 unq 11 iso 0 dist 9.43839 5.46713 9.77774 10.329 2.58673 9.97944 numMergedOcc 0
21 mol 93 unq 0 iso 0 dist 8.55758 5.84807 6.67678 7.44027 2.81832 7.24956 numMergedOcc 0
22 mol 93 unq 1 iso 0 dist 8.55758 5.84807 6.67678 13.5236 10.7776 8.28591 numMergedOcc 0
23 mol 93 unq 2 iso 0 dist 8.55758 5.84807 6.67678 12.962 10.4844 9.40687 numMergedOcc 0
24 mol 93 unq 3 iso 0 dist 7.44027 5.84807 7.24956 8.55758 2.81832 6.67678 numMergedOcc 0
25 mol 93 unq 4 iso 0 dist 7.44027 5.84807 7.24956 13.5236 11.7564 8.28591 numMergedOcc 0
26 mol 93 unq 5 iso 0 dist 7.44027 5.84807 7.24956 12.962 10.3262 9.40687 numMergedOcc 0
27 mol 141 unq 0 iso 0 dist 8.12558 4.62155 5.95801 11.5996 10.7858 9.92715 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 7.56217 5.39223 4.45769 9.81055 3.78714 5.89939 numMergedOcc 0
29 mol 194 unq 1 iso 0 dist 7.56217 7.15294 8.99961 9.81055 3.78714 8.18853 numMergedOcc 0
30 mol 194 unq 2 iso 0 dist 9.81055 5.39223 5.89939 7.56217 3.78714 4.45769 numMergedOcc 0
31 mol 194 unq 3 iso 0 dist 9.81055 7.15294 8.18853 7.56217 3.78714 8.99961 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 8.77524 5.9943 7.33774 8.59764 8.59834 6.39122 numMergedOcc 0
33 mol 204 unq 1 iso 0 dist 9.26192 9.9686 7.98864 10.6368 2.95898 8.23717 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 9.53899 10.0389 7.66702 10.3757 2.86233 7.70062 numMergedOcc 0
35 mol 224 unq 0 iso 0 dist 6.06793 6.97024 7.99036 10.0566 5.10881 7.98132 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 9.09279 15.5357 9.81261 21.5066 14.7288 7.62991 numMergedOcc 0
37 mol 266 unq 0 iso 0 dist 6.48382 7.90149 8.20376 14.5631 11.938 7.72861 numMergedOcc 0
38 mol 285 unq 0 iso 0 dist 4.95596 5.62841 4.27826 6.3508 4.87372 5.82074 numMergedOcc 0
39 mol 285 unq 1 iso 0 dist 6.3508 5.62841 5.82074 4.95596 4.87372 4.27826 numMergedOcc 0
