0 mol 25 unq 0 iso 0 dist 8.46842 10.5274 8.40051 5.03904 4.79873 6.29702 17.4161 10.9391 8.6396 12.3944 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.46842 10.5274 8.40051 16.8735 9.48085 13.591 17.4161 10.9391 8.6396 9.49421 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.50987 12.3669 7.63928 9.55844 7.99919 4.88495 18.123 10.2779 8.88413 13.3069 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 8.50987 12.3669 7.63928 9.55844 7.99919 4.88495 9.07927 4.51512 9.87281 11.0249 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 6.5136 11.2915 9.65047 5.9335 9.3948 8.55456 19.0272 15.3836 8.69069 16.1071 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 6.5136 11.2915 9.65047 9.88003 9.74607 3.84879 19.0272 15.3836 8.69069 12.242 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 6.1421 12.3343 9.28278 5.75588 5.51197 9.05571 16.3733 10.5871 8.78082 12.8996 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 6.1421 12.3343 9.28278 3.82645 6.69691 9.63308 16.3733 10.5871 8.78082 15.3611 numMergedOcc 0
8 mol 129 unq 2 iso 0 dist 6.1421 12.3343 9.28278 4.18263 8.86944 14.5546 16.3733 10.5871 8.78082 18.9289 numMergedOcc 0
9 mol 129 unq 3 iso 0 dist 9.54663 10.4416 9.28278 11.0564 5.51197 9.05571 16.2096 10.5871 8.78082 12.8996 numMergedOcc 0
10 mol 129 unq 4 iso 0 dist 9.54663 10.4416 9.28278 5.71616 6.69691 9.63308 16.2096 10.5871 8.78082 15.3611 numMergedOcc 0
11 mol 129 unq 5 iso 0 dist 9.54663 10.4416 9.28278 7.22602 8.86944 14.5546 16.2096 10.5871 8.78082 18.9289 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.85025 13.039 5.82404 13.4842 8.77023 11.5628 13.0581 8.18495 9.50322 12.5855 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 7.18765 14.6497 8.3337 4.26432 9.10817 17.2264 13.1253 6.75702 5.41292 15.5058 numMergedOcc 0
14 mol 197 unq 1 iso 0 dist 7.18765 14.6497 8.3337 14.0652 9.73548 5.5875 13.1253 6.75702 5.41292 10.1477 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 9.95084 15.8157 7.73315 13.8104 7.33709 3.5359 14.328 4.72474 7.0843 8.75536 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 9.95084 15.8157 7.73315 13.8104 7.33709 3.5359 14.4283 5.61978 6.9398 6.67404 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 9.68636 12.8446 8.6537 9.76444 7.27993 3.72432 14.4454 5.1556 8.75374 9.51168 numMergedOcc 0
18 mol 229 unq 1 iso 0 dist 9.68636 12.8446 8.6537 9.76444 7.27993 3.72432 18.1469 10.6558 7.10634 10.218 numMergedOcc 0
19 mol 229 unq 2 iso 0 dist 9.68636 12.8446 8.6537 9.76444 7.27993 3.72432 11.9461 7.0298 5.57702 6.95201 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 6.50405 6.07988 7.82899 9.94726 8.83833 14.9352 8.99981 5.6276 6.36911 14.3015 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 6.66602 9.34577 6.83408 12.6107 9.58916 3.63202 13.6132 8.96144 7.36905 5.90924 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 8.23147 3.72575 8.96343 6.40883 5.46926 6.17642 10.0577 7.69449 8.51931 9.57499 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 8.23147 3.72575 8.96343 6.79352 5.13913 8.24206 10.0577 7.69449 8.51931 11.4389 numMergedOcc 0
24 mol 277 unq 2 iso 0 dist 5.22392 4.1574 8.51931 6.68571 9.57499 6.17642 8.20217 7.69449 8.96343 5.46926 numMergedOcc 0
25 mol 277 unq 3 iso 0 dist 8.20217 4.1574 8.96343 6.68571 5.46926 6.17642 5.22392 7.69449 8.51931 9.57499 numMergedOcc 0
26 mol 277 unq 4 iso 0 dist 8.20217 4.1574 8.96343 9.44642 5.13913 8.24206 5.22392 7.69449 8.51931 11.4389 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 7.29148 11.1098 5.75596 14.9639 9.9182 6.65781 17.2969 10.0122 9.11438 10.3441 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 7.29148 11.1098 5.75596 14.9639 9.9182 6.65781 18.975 12.1693 8.37867 9.10788 numMergedOcc 0
29 mol 292 unq 2 iso 0 dist 7.29148 11.1098 5.75596 13.1177 8.9221 4.00064 17.2969 10.0122 9.11438 11.1255 numMergedOcc 0
30 mol 292 unq 3 iso 0 dist 7.29148 11.1098 5.75596 13.1177 8.9221 4.00064 18.975 12.1693 8.37867 8.85064 numMergedOcc 0
