0 mol 25 unq 0 iso 0 dist 8.46842 10.5274 8.40051 17.4161 10.9391 8.6396 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.07927 12.3669 9.87281 18.123 10.8648 8.88413 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 9.07927 12.3669 9.87281 8.50987 4.51512 7.63928 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 8.50987 12.3669 7.63928 18.123 10.2779 8.88413 numMergedOcc 0
4 mol 25 unq 4 iso 0 dist 8.50987 12.3669 7.63928 9.07927 4.51512 9.87281 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 8.46313 3.88133 7.52103 10.2837 6.86346 9.22002 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.364 4.93451 5.9179 10.4505 7.60026 9.34782 numMergedOcc 0
7 mol 90 unq 1 iso 0 dist 7.37255 5.41685 5.9179 11.4877 7.60026 9.34782 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 6.5136 11.2915 9.65047 19.0272 15.3836 8.69069 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 6.1421 12.3343 9.28278 16.3733 10.5871 8.78082 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 9.54663 10.4416 9.28278 16.2096 10.5871 8.78082 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 7.85025 13.039 5.82404 13.0581 8.18495 9.50322 numMergedOcc 0
12 mol 196 unq 0 iso 0 dist 9.29791 8.04287 6.25429 14.162 7.5617 6.87731 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 7.18765 14.6497 8.3337 13.1253 6.75702 5.41292 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 9.95084 15.8157 7.73315 14.328 4.72474 7.0843 numMergedOcc 0
15 mol 218 unq 1 iso 0 dist 9.95084 15.8157 7.73315 14.4283 5.61978 6.9398 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 9.68636 12.8446 8.6537 14.4454 5.1556 8.75374 numMergedOcc 0
17 mol 229 unq 1 iso 0 dist 9.68636 12.8446 8.6537 18.1469 10.6558 7.10634 numMergedOcc 0
18 mol 229 unq 2 iso 0 dist 9.68636 12.8446 8.6537 11.9461 7.0298 5.57702 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 8.99981 6.07988 6.36911 6.50405 5.6276 7.82899 numMergedOcc 0
20 mol 257 unq 1 iso 0 dist 6.50405 6.07988 7.82899 8.99981 5.6276 6.36911 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 6.66602 9.34577 6.83408 13.6132 8.96144 7.36905 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 8.23147 3.72575 8.96343 10.0577 7.69449 8.51931 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 5.22392 4.1574 8.51931 8.20217 7.69449 8.96343 numMergedOcc 0
24 mol 277 unq 2 iso 0 dist 8.20217 4.1574 8.96343 5.22392 7.69449 8.51931 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 7.29148 11.1098 5.75596 17.2969 10.0122 9.11438 numMergedOcc 0
26 mol 292 unq 1 iso 0 dist 7.29148 11.1098 5.75596 18.975 12.1693 8.37867 numMergedOcc 0
