0 mol 24 unq 0 iso 0 dist 8.10063 6.77987 6.75063 6.09311 8.11143 11.144 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.10063 6.77987 6.75063 6.50899 8.9776 8.31631 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 5.31968 8.66089 7.87697 3.82411 7.89306 11.3783 numMergedOcc 0
3 mol 33 unq 1 iso 0 dist 5.31968 8.66089 7.87697 4.28598 8.36697 12.8415 numMergedOcc 0
4 mol 33 unq 2 iso 0 dist 5.31968 6.9181 5.9112 3.82411 7.89306 8.00427 numMergedOcc 0
5 mol 33 unq 3 iso 0 dist 5.31968 6.9181 5.9112 4.28598 8.36697 10.9195 numMergedOcc 0
6 mol 33 unq 4 iso 0 dist 5.31968 5.84349 6.23577 3.82411 7.89306 4.64187 numMergedOcc 0
7 mol 33 unq 5 iso 0 dist 5.31968 5.84349 6.23577 4.28598 8.36697 7.95437 numMergedOcc 0
8 mol 53 unq 0 iso 0 dist 9.26043 6.6473 11.8657 5.86778 9.52717 12.2058 numMergedOcc 0
9 mol 63 unq 0 iso 0 dist 8.17492 9.6401 5.74753 6.63195 6.89855 8.78414 numMergedOcc 0
10 mol 63 unq 1 iso 0 dist 7.10403 8.53833 5.82517 11.1855 7.85738 8.78414 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 8.20415 7.94467 5.54074 11.6783 9.93747 12.0144 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 8.20415 7.94467 5.54074 9.48204 9.39265 12.4186 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 6.27877 6.24296 8.08787 3.81285 7.51319 4.29937 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 6.27877 6.24296 8.08787 6.17121 8.49887 5.37869 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 6.27877 6.83218 10.4844 3.81285 7.51319 3.65628 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 6.27877 6.83218 10.4844 6.17121 8.49887 4.05415 numMergedOcc 0
17 mol 91 unq 0 iso 0 dist 8.01351 6.64714 5.09341 9.46631 8.91998 7.71625 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 8.13344 7.33743 15.4631 4.88335 6.67937 11.0561 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 5.68406 5.24228 4.62155 6.8842 9.57243 10.3229 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 5.68406 5.24228 4.62155 6.46148 8.12558 5.95801 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 8.11014 8.90926 13.9278 8.24104 8.5544 16.1757 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 8.73423 8.73525 5.9546 16.3802 8.77524 12.5711 numMergedOcc 0
23 mol 251 unq 0 iso 0 dist 7.73217 5.85851 5.04918 3.46172 8.15014 7.72528 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 9.70632 9.1946 13.6274 10.9606 9.32456 19.1246 numMergedOcc 0
