0 mol 28 unq 0 iso 0 dist 8.43134 8.76563 6.75443 11.9747 6.76158 5.61871 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.43134 8.76563 6.75443 14.3271 7.423 7.3517 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.43134 8.76563 6.75443 12.8218 5.89257 6.13016 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.43134 15.1628 9.02508 11.9747 6.76158 9.02992 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 8.43134 15.1628 9.02508 14.3271 7.423 6.51048 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 8.43134 15.1628 9.02508 12.8218 5.89257 4.18951 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 8.43134 13.148 8.44081 11.9747 6.76158 13.5265 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 8.43134 13.148 8.44081 14.3271 7.423 12.1819 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 8.43134 13.148 8.44081 12.8218 5.89257 9.28235 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 7.7946 9.64715 3.90209 13.1601 5.61418 4.65764 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 5.97162 8.48271 6.03801 8.81652 8.94445 8.77907 numMergedOcc 0
11 mol 187 unq 0 iso 0 dist 9.469 7.99456 9.59166 9.53252 8.26077 6.11147 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 7.30288 11.3751 6.99973 5.11797 9.54857 10.9463 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 7.30288 11.3751 6.99973 5.32983 8.73456 8.94743 numMergedOcc 0
14 mol 285 unq 0 iso 0 dist 7.38219 8.40251 6.64026 13.5711 9.84651 12.7432 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 9.1299 7.01799 6.75269 11.9069 7.96707 5.73495 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 9.1299 7.01799 6.75269 11.9069 7.96707 5.73495 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 9.1299 7.01799 6.75269 11.9069 7.96707 5.73495 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 7.1839 4.99483 8.85233 7.34358 4.97488 9.95731 numMergedOcc 0
19 mol 292 unq 1 iso 0 dist 7.1839 7.14449 7.06322 7.34358 4.97488 3.77627 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 8.79534 16.7838 9.83069 16.4938 9.32126 11.2409 numMergedOcc 0
21 mol 294 unq 1 iso 0 dist 8.79534 16.7838 9.83069 17.7564 9.38111 5.29613 numMergedOcc 0
22 mol 294 unq 2 iso 0 dist 8.79534 16.7838 9.83069 15.1788 9.14005 14.6314 numMergedOcc 0
23 mol 294 unq 3 iso 0 dist 6.78706 5.23252 9.83069 6.20762 9.32126 11.2409 numMergedOcc 0
24 mol 294 unq 4 iso 0 dist 6.78706 5.23252 9.83069 3.11089 9.38111 5.29613 numMergedOcc 0
25 mol 294 unq 5 iso 0 dist 6.78706 5.23252 9.83069 9.41315 9.14005 14.6314 numMergedOcc 0
