0 mol 64 unq 0 iso 0 dist 9.23164 6.27017 7.27834 5.04832 7.85826 8.85416 numMergedOcc 0
1 mol 91 unq 0 iso 0 dist 8.42914 8.01351 10.1359 13.1199 8.18876 16.8291 numMergedOcc 0
2 mol 91 unq 1 iso 0 dist 8.42914 8.98201 12.3884 13.1199 8.18876 15.3353 numMergedOcc 0
3 mol 91 unq 2 iso 0 dist 8.42914 6.4026 8.18224 13.1199 8.18876 13.8356 numMergedOcc 0
4 mol 91 unq 3 iso 0 dist 8.17327 8.01351 11.3866 13.1199 5.51155 16.8291 numMergedOcc 0
5 mol 91 unq 4 iso 0 dist 8.17327 8.98201 12.7683 13.1199 5.51155 15.3353 numMergedOcc 0
6 mol 91 unq 5 iso 0 dist 8.17327 6.4026 9.97979 13.1199 5.51155 13.8356 numMergedOcc 0
7 mol 91 unq 6 iso 0 dist 9.52936 8.01351 9.36488 13.1199 8.29601 16.8291 numMergedOcc 0
8 mol 91 unq 7 iso 0 dist 9.52936 8.98201 15.773 13.1199 8.29601 15.3353 numMergedOcc 0
9 mol 91 unq 8 iso 0 dist 9.52936 6.4026 11.8427 13.1199 8.29601 13.8356 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 7.24083 8.40121 11.2378 9.3565 8.45451 17.1912 numMergedOcc 0
11 mol 124 unq 1 iso 0 dist 7.24083 9.09998 9.0109 9.3565 8.45451 15.594 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 8.78382 5.52837 6.84485 4.8602 9.20977 9.39389 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.27008 8.72732 15.392 8.09812 8.61918 9.2759 numMergedOcc 0
14 mol 140 unq 0 iso 0 dist 8.15605 8.72216 5.14081 4.46614 9.16949 7.60956 numMergedOcc 0
15 mol 140 unq 1 iso 0 dist 8.15605 8.72216 5.14081 4.74205 8.65294 9.9171 numMergedOcc 0
16 mol 176 unq 0 iso 0 dist 8.95504 9.24242 10.4177 11.8638 7.36833 17.1627 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 9.06541 6.97502 8.75176 16.5906 9.83024 16.9833 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 6.28379 5.79204 5.20211 9.90504 9.46821 13.3855 numMergedOcc 0
19 mol 233 unq 1 iso 0 dist 8.91643 5.79204 7.96328 9.90504 8.52401 13.3855 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 9.5174 7.69328 15.2194 4.15537 9.87771 7.83793 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 9.5174 7.69328 15.2194 9.72043 9.10723 16.9361 numMergedOcc 0
22 mol 279 unq 2 iso 0 dist 9.5174 8.93979 7.34826 4.15537 9.87771 11.5899 numMergedOcc 0
23 mol 279 unq 3 iso 0 dist 9.5174 8.93979 7.34826 9.72043 9.10723 13.5992 numMergedOcc 0
24 mol 280 unq 0 iso 0 dist 9.69573 7.38699 9.78493 6.22294 8.71581 8.83076 numMergedOcc 0
25 mol 280 unq 1 iso 0 dist 6.42515 7.38699 9.73214 6.22294 9.79817 8.83076 numMergedOcc 0
26 mol 294 unq 0 iso 0 dist 8.63523 9.23009 10.2133 4.33731 8.90069 9.22572 numMergedOcc 0
