0 mol 11 unq 0 iso 0 dist 9.76233 7.08799 9.74528 8.44193 4.79838 11.5768 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 8.00338 4.80937 6.80828 7.33601 5.34723 4.78536 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.52145 14.6586 8.70331 7.64212 5.9972 7.9487 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 8.35776 5.87258 8.70331 7.70136 5.9972 7.9487 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.02073 12.6645 7.93498 6.85145 9.20861 7.99907 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 5.61831 8.53213 5.91098 8.76407 8.90522 13.8036 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.61831 5.28721 4.86523 8.76407 8.90522 6.63393 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 7.61514 5.55433 7.51319 12.3084 5.61151 12.8729 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 7.61514 15.3673 9.43839 12.3084 5.61151 3.97167 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 8.21116 15.6112 8.66427 12.3084 6.54289 10.6818 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 8.21116 15.6112 8.66427 15.5542 7.52869 6.24598 numMergedOcc 0
11 mol 85 unq 4 iso 0 dist 8.21116 15.6112 8.66427 16.0243 9.18945 12.0327 numMergedOcc 0
12 mol 85 unq 5 iso 0 dist 8.21116 5.55433 8.49887 12.3084 6.54289 12.8729 numMergedOcc 0
13 mol 85 unq 6 iso 0 dist 8.21116 5.55433 8.49887 15.5542 7.52869 14.5743 numMergedOcc 0
14 mol 85 unq 7 iso 0 dist 8.21116 5.55433 8.49887 16.0243 9.18945 13.0766 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 8.18356 6.20949 7.4113 11.226 8.61909 5.27861 numMergedOcc 0
16 mol 114 unq 1 iso 0 dist 8.18356 6.20949 7.4113 11.0045 5.96977 12.5418 numMergedOcc 0
17 mol 114 unq 2 iso 0 dist 8.18356 15.013 8.53631 11.226 8.61909 15.2678 numMergedOcc 0
18 mol 114 unq 3 iso 0 dist 8.18356 15.013 8.53631 11.0045 5.96977 5.01204 numMergedOcc 0
19 mol 193 unq 0 iso 0 dist 9.28442 16.2737 9.13587 6.21288 6.17074 11.6584 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 6.15671 5.61312 7.78392 4.78147 8.9632 6.64449 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 9.05194 6.99999 8.14743 11.4763 8.56867 9.3815 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 9.02526 6.99999 8.75943 11.4763 6.29872 9.3815 numMergedOcc 0
