0 mol 21 unq 0 iso 0 dist 9.19322 9.83589 13.5541 8.7443 13.678 5.70796 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.10063 6.77987 6.75063 7.63824 11.4519 7.63404 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 5.31968 8.66089 7.87697 4.41045 5.71433 7.49744 numMergedOcc 0
3 mol 33 unq 1 iso 0 dist 5.31968 6.9181 5.9112 4.41045 5.71433 3.22951 numMergedOcc 0
4 mol 33 unq 2 iso 0 dist 5.31968 5.84349 6.23577 4.41045 5.71433 3.60218 numMergedOcc 0
5 mol 33 unq 3 iso 0 dist 9.86405 8.66089 11.6849 4.41045 9.24529 7.49744 numMergedOcc 0
6 mol 33 unq 4 iso 0 dist 9.86405 6.9181 8.70148 4.41045 9.24529 3.22951 numMergedOcc 0
7 mol 33 unq 5 iso 0 dist 9.86405 5.84349 8.05395 4.41045 9.24529 3.60218 numMergedOcc 0
8 mol 41 unq 0 iso 0 dist 6.74265 9.3808 5.42185 8.67915 7.46776 6.02154 numMergedOcc 0
9 mol 63 unq 0 iso 0 dist 8.17492 9.6401 5.74753 5.89846 5.04771 4.73277 numMergedOcc 0
10 mol 63 unq 1 iso 0 dist 7.10403 8.53833 5.82517 9.56838 4.44607 10.1907 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 8.20415 7.94467 5.54074 7.81118 6.0407 5.85766 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 9.92929 8.7452 7.63577 9.86131 9.3067 3.48199 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 9.92929 8.7452 7.63577 6.75985 5.78777 5.73949 numMergedOcc 0
14 mol 79 unq 2 iso 0 dist 9.92929 9.15081 7.79168 9.86131 9.3067 4.0452 numMergedOcc 0
15 mol 79 unq 3 iso 0 dist 9.92929 9.15081 7.79168 6.75985 5.78777 3.12382 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 6.27877 6.24296 8.08787 8.15861 6.90443 3.65186 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 6.27877 6.24296 8.08787 9.27814 12.641 14.6387 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 6.27877 6.83218 10.4844 8.15861 6.90443 7.00044 numMergedOcc 0
19 mol 85 unq 3 iso 0 dist 6.27877 6.83218 10.4844 9.27814 12.641 15.2529 numMergedOcc 0
20 mol 91 unq 0 iso 0 dist 8.01351 6.64714 5.09341 7.09177 12.7678 9.60912 numMergedOcc 0
21 mol 91 unq 1 iso 0 dist 8.98201 6.64714 12.2247 7.09177 6.3531 9.60912 numMergedOcc 0
22 mol 91 unq 2 iso 0 dist 6.4026 6.64714 7.1967 7.09177 3.99798 9.60912 numMergedOcc 0
23 mol 95 unq 0 iso 0 dist 9.18095 8.0675 11.4151 9.98215 6.85215 15.2673 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 8.00416 5.93561 4.57343 5.81859 12.8398 9.79375 numMergedOcc 0
25 mol 109 unq 1 iso 0 dist 8.00416 5.33967 11.3914 5.81859 12.8398 3.54756 numMergedOcc 0
26 mol 116 unq 0 iso 0 dist 8.49761 5.93365 8.82571 6.98134 11.193 3.43966 numMergedOcc 0
27 mol 117 unq 0 iso 0 dist 9.26609 5.20001 9.72458 5.94465 6.41211 9.7683 numMergedOcc 0
28 mol 146 unq 0 iso 0 dist 6.70014 6.76896 7.42348 8.91908 14.9893 14.9518 numMergedOcc 0
29 mol 158 unq 0 iso 0 dist 9.94593 6.68721 16.3211 6.51748 6.50596 11.6769 numMergedOcc 0
30 mol 158 unq 1 iso 0 dist 9.49329 6.68721 4.87865 6.51748 12.3168 11.6769 numMergedOcc 0
31 mol 184 unq 0 iso 0 dist 8.11014 8.90926 13.9278 7.42696 15.2747 8.05795 numMergedOcc 0
32 mol 184 unq 1 iso 0 dist 8.11014 8.90926 13.9278 5.86468 4.75805 9.99712 numMergedOcc 0
33 mol 184 unq 2 iso 0 dist 8.11014 8.90926 13.9278 8.73302 11.6574 12.1721 numMergedOcc 0
34 mol 204 unq 0 iso 0 dist 8.73423 8.73525 5.9546 9.38235 13.1706 10.833 numMergedOcc 0
35 mol 204 unq 1 iso 0 dist 8.73423 8.73525 5.9546 8.95509 5.79978 4.66758 numMergedOcc 0
36 mol 283 unq 0 iso 0 dist 9.16563 8.106 5.28913 7.17276 5.01922 3.12129 numMergedOcc 0
