0 mol 5 unq 0 iso 0 dist 9.45559 7.4332 4.84696 9.59917 7.74636 10.8912 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.4332 9.45559 4.84696 8.94762 8.34817 12.4698 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.74528 9.08736 14.8738 11.3059 9.89425 9.32171 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.9776 8.11143 7.83805 6.75063 8.31631 11.144 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 7.89306 8.36697 4.43305 6.23577 4.64187 7.95437 numMergedOcc 0
5 mol 33 unq 1 iso 0 dist 8.36697 7.89306 4.43305 6.23577 7.95437 4.64187 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 8.26877 5.43913 5.62671 12.0497 7.78689 12.509 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 9.32525 9.05444 3.20411 12.2859 9.63906 7.71872 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 9.05444 9.32525 3.20411 12.2859 7.71872 9.63906 numMergedOcc 0
9 mol 68 unq 2 iso 0 dist 5.26566 6.27118 5.34678 9.4465 8.71074 13.3088 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 4.8983 9.85386 11.6321 5.75925 4.27766 14.9297 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 6.65972 4.2253 5.63083 11.5374 9.04293 10.8282 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 6.65972 4.2253 5.63083 5.21981 4.78333 4.74254 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 4.2253 6.65972 5.63083 5.21981 4.74254 4.78333 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 7.51319 8.49887 2.58673 8.08787 4.29937 5.37869 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 7.51319 8.49887 2.58673 10.4844 3.65628 4.05415 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 7.51319 8.49887 2.58673 16.4231 9.77774 9.97944 numMergedOcc 0
17 mol 85 unq 3 iso 0 dist 8.49887 7.51319 2.58673 8.08787 5.37869 4.29937 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 8.49887 7.51319 2.58673 10.4844 4.05415 3.65628 numMergedOcc 0
19 mol 85 unq 5 iso 0 dist 8.49887 7.51319 2.58673 16.4231 9.97944 9.77774 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 8.55758 7.44027 2.81832 5.84807 6.67678 7.24956 numMergedOcc 0
21 mol 93 unq 1 iso 0 dist 7.44027 8.55758 2.81832 5.84807 7.24956 6.67678 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 8.12558 9.57243 13.315 4.62155 5.95801 10.3229 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 8.09561 9.07315 6.01609 14.2685 8.60651 10.6225 numMergedOcc 0
24 mol 176 unq 0 iso 0 dist 8.8756 8.79752 8.21185 11.9346 9.9109 16.9528 numMergedOcc 0
25 mol 176 unq 1 iso 0 dist 8.8756 7.29985 6.34877 11.9346 9.9109 12.532 numMergedOcc 0
26 mol 176 unq 2 iso 0 dist 8.8756 7.58281 3.47516 11.9346 9.9109 12.5252 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 4.79423 6.97766 6.13455 9.5548 8.92135 14.8336 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 7.56217 9.81055 3.78714 5.39223 4.45769 5.89939 numMergedOcc 0
29 mol 194 unq 1 iso 0 dist 7.56217 9.81055 3.78714 7.15294 8.99961 8.18853 numMergedOcc 0
30 mol 194 unq 2 iso 0 dist 9.81055 7.56217 3.78714 5.39223 5.89939 4.45769 numMergedOcc 0
31 mol 194 unq 3 iso 0 dist 9.81055 7.56217 3.78714 7.15294 8.18853 8.99961 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 9.80396 6.3093 6.8233 12.9816 9.454 14.4242 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 4.1545 4.25172 3.41319 6.65084 5.13533 8.0969 numMergedOcc 0
34 mol 285 unq 0 iso 0 dist 4.95596 7.08681 11.9982 5.62841 4.27826 11.2031 numMergedOcc 0
35 mol 285 unq 1 iso 0 dist 4.95596 6.3508 4.87372 5.62841 4.27826 5.82074 numMergedOcc 0
36 mol 285 unq 2 iso 0 dist 4.95596 8.3005 6.95388 5.62841 4.27826 11.0752 numMergedOcc 0
37 mol 285 unq 3 iso 0 dist 6.3508 7.08681 11.9803 5.62841 5.82074 11.2031 numMergedOcc 0
38 mol 285 unq 4 iso 0 dist 6.3508 4.95596 4.87372 5.62841 5.82074 4.27826 numMergedOcc 0
39 mol 285 unq 5 iso 0 dist 6.3508 8.3005 9.46838 5.62841 5.82074 11.0752 numMergedOcc 0
