0 mol 16 unq 0 iso 0 dist 9.57671 10.3914 8.4361 11.9868 5.39064 4.86568 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.47979 4.42703 8.20058 11.8431 16.6906 8.86116 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.47979 4.42703 8.20058 12.7246 14.9411 8.38394 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 9.46319 9.09594 9.22151 11.2792 4.96681 7.57578 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 9.46319 6.74726 6.22122 11.2792 4.96681 7.17969 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.43688 4.76147 7.51406 7.34549 6.4487 8.34347 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 8.97337 6.30129 7.51406 8.09068 6.4487 8.34347 numMergedOcc 0
7 mol 26 unq 2 iso 0 dist 7.04006 5.93227 7.51406 9.72289 6.4487 8.34347 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 4.22514 5.77448 6.54183 6.13476 5.65405 8.10861 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 9.0081 13.1593 9.70415 11.0733 5.46309 6.65721 numMergedOcc 0
10 mol 61 unq 1 iso 0 dist 9.0081 13.1593 9.70415 14.1487 11.9897 6.72123 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 8.06502 4.81535 5.57265 10.9574 5.58109 7.9245 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 8.76115 4.81535 7.05258 10.9574 5.3454 7.9245 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 4.69247 4.53858 6.56728 11.7388 11.609 7.47541 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 4.69247 4.53858 6.56728 11.7649 13.5384 7.66905 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 4.69247 4.53858 6.56728 7.59073 5.29763 5.73196 numMergedOcc 0
16 mol 90 unq 0 iso 0 dist 8.04064 14.0721 8.44515 13.8685 6.1985 5.83409 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 8.67615 5.06206 9.56324 11.2501 15.1093 6.45675 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 8.67615 5.06206 9.56324 10.4409 16.8752 7.47343 numMergedOcc 0
19 mol 100 unq 2 iso 0 dist 8.67615 5.06206 9.56324 11.3142 13.0353 8.86688 numMergedOcc 0
20 mol 126 unq 0 iso 0 dist 9.61698 11.7982 6.24392 12.94 5.50061 6.06638 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.27557 5.77573 6.06422 12.0065 5.33697 6.57393 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 9.42047 5.74685 6.54455 5.99187 5.17954 6.22714 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 5.80603 5.48552 5.75874 5.29682 5.20592 8.53687 numMergedOcc 0
24 mol 265 unq 0 iso 0 dist 8.9413 4.75685 5.3051 6.78702 11.4819 8.4218 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 8.69635 4.29576 8.78883 11.7956 7.48637 9.10818 numMergedOcc 0
26 mol 280 unq 0 iso 0 dist 7.11605 14.3313 8.80588 12.5446 8.30978 6.53701 numMergedOcc 0
27 mol 280 unq 1 iso 0 dist 7.11605 14.3313 8.80588 12.4467 5.80223 6.0664 numMergedOcc 0
