0 mol 0 unq 0 iso 0 dist 9.42137 14.5258 7.15528 8.60656 7.40865 9.46298 13.5016 5.47921 6.94181 12.2644 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 4.32173 6.16347 9.34396 12.1406 4.96681 9.22151 10.2461 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.40051 13.466 7.57578 15.9662 7.92503 6.11127 12.1406 4.96681 9.22151 8.00738 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.40051 14.4191 7.17969 4.32173 6.16347 10.8498 12.1406 4.96681 6.22122 10.2461 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.40051 14.4191 7.17969 15.9662 7.92503 5.30154 12.1406 4.96681 6.22122 8.00738 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 7.63928 6.17631 6.03987 9.78075 6.85556 5.68392 9.81087 11.5983 6.23095 11.0789 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 7.13085 8.95682 6.18002 11.0563 5.90113 9.17086 11.9521 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 5.97635 13.2619 8.10861 11.5332 7.21717 5.99981 8.34361 5.65405 6.54183 8.60653 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 9.22002 6.16737 6.65721 12.7481 9.25641 13.5488 11.5166 5.46309 9.70415 5.67362 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 6.58793 7.83419 7.66905 3.88757 7.54568 4.65335 12.8498 13.5384 6.56728 9.51674 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 5.63005 10.5268 8.73993 4.01593 6.52773 7.20179 15.5348 10.5726 8.88255 14.0057 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 5.63005 10.5268 8.73993 13.1254 9.23858 9.89358 15.5348 10.5726 8.88255 8.61574 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 6.31125 5.6098 8.40312 11.127 9.90168 7.7567 12.7607 12.3624 9.33945 12.7271 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 11.127 9.90168 13.7237 13.7766 11.3502 8.99949 20.1653 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 5.96555 10.7091 7.26832 3.99238 6.03688 12.4957 15.753 10.6362 6.15806 16.5371 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 4.21811 6.02296 6.35849 15.0689 6.38287 9.60159 11.9075 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 6.36084 9.40808 4.9377 11.6361 12.5761 9.95045 11.8822 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 8.28901 8.84636 4.30299 10.9473 4.77446 6.83046 10.3104 numMergedOcc 0
