0 mol 79 unq 0 iso 0 dist 9.05293 10.5363 9.8089 8.63773 8.4416 6.21234 numMergedOcc 0
1 mol 79 unq 1 iso 0 dist 9.05293 10.5363 9.8089 13.5982 7.79538 7.08619 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 9.55654 12.3414 7.9309 16.3764 7.93119 7.89284 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 9.55654 12.3414 7.9309 10.7221 5.25361 9.76251 numMergedOcc 0
4 mol 96 unq 0 iso 0 dist 9.48287 5.98346 7.64192 5.54189 9.62431 4.475 numMergedOcc 0
5 mol 170 unq 0 iso 0 dist 5.13315 5.2781 9.15159 8.64752 8.38932 13.3123 numMergedOcc 0
6 mol 172 unq 0 iso 0 dist 9.91479 13.0825 7.77643 9.72836 8.03455 5.96894 numMergedOcc 0
7 mol 172 unq 1 iso 0 dist 9.91479 12.1824 4.90175 9.72836 8.03455 9.2371 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 8.39237 15.2663 9.60838 6.70611 8.09915 13.1601 numMergedOcc 0
9 mol 197 unq 0 iso 0 dist 6.22734 4.77702 7.69352 4.26432 7.86042 8.55619 numMergedOcc 0
10 mol 198 unq 0 iso 0 dist 5.42463 5.71019 7.89026 5.75465 7.92186 11.3581 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 8.621 13.2093 7.0412 4.57447 8.69052 13.5014 numMergedOcc 0
12 mol 243 unq 0 iso 0 dist 6.0854 5.52989 8.1195 5.69077 8.89434 8.8719 numMergedOcc 0
13 mol 249 unq 0 iso 0 dist 6.88579 6.08224 5.70674 9.25327 8.56493 6.46947 numMergedOcc 0
14 mol 267 unq 0 iso 0 dist 7.71379 5.23721 5.72144 5.12687 9.58438 5.35674 numMergedOcc 0
15 mol 267 unq 1 iso 0 dist 7.71379 5.05875 6.79491 5.12687 9.58438 9.80917 numMergedOcc 0
