0 mol 38 unq 0 iso 0 dist 9.49676 9.70612 16.3301 10.8777 9.68539 19.8318 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 9.49676 6.46781 11.1811 10.8777 9.68539 15.0885 numMergedOcc 0
2 mol 38 unq 2 iso 0 dist 9.49676 8.19077 5.79134 10.8777 9.68539 11.8246 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 8.61468 9.45835 7.17843 5.71434 6.02034 11.0964 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 6.27186 9.45835 4.4651 5.71434 6.77808 11.0964 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.04935 7.79726 12.1055 13.9849 8.71103 19.3262 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 7.62621 8.00525 10.2967 16.1045 9.83906 19.1264 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 8.84466 9.10877 12.5871 13.2527 7.62629 19.4908 numMergedOcc 0
8 mol 108 unq 0 iso 0 dist 8.69068 5.45787 4.93762 6.97518 5.52402 7.29462 numMergedOcc 0
9 mol 108 unq 1 iso 0 dist 8.69068 5.45787 4.93762 4.62224 7.57593 5.4057 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 9.31927 9.96969 5.91353 4.23705 9.12964 8.91606 numMergedOcc 0
11 mol 132 unq 0 iso 0 dist 8.94096 7.84864 6.68335 8.83313 7.81335 10.6773 numMergedOcc 0
12 mol 132 unq 1 iso 0 dist 7.64207 7.84864 9.11596 8.83313 7.63333 10.6773 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.86691 9.05674 4.84607 5.48547 6.85651 8.84018 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 5.59311 8.94909 14.4095 7.75644 9.21256 11.5405 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 9.22456 8.94909 17.145 7.75644 8.3243 11.5405 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 5.7232 8.94909 5.37072 7.75644 6.23615 11.5405 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 5.70772 9.23551 10.5583 4.93601 5.82034 13.5686 numMergedOcc 0
18 mol 147 unq 1 iso 0 dist 8.93916 7.4653 8.95179 12.1565 5.82034 14.0332 numMergedOcc 0
19 mol 147 unq 2 iso 0 dist 8.93916 7.95564 11.4531 12.1565 5.82034 16.6408 numMergedOcc 0
20 mol 183 unq 0 iso 0 dist 8.53483 9.09322 7.79648 5.85166 5.83335 10.6988 numMergedOcc 0
21 mol 183 unq 1 iso 0 dist 8.53483 9.09322 7.79648 18.0876 9.92635 15.8696 numMergedOcc 0
22 mol 197 unq 0 iso 0 dist 8.61953 9.14737 10.5326 4.31461 6.50727 11.0336 numMergedOcc 0
23 mol 197 unq 1 iso 0 dist 7.91999 9.14737 5.29309 4.31461 7.84826 11.0336 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 8.62592 5.31858 7.52881 12.3393 9.4886 14.2477 numMergedOcc 0
25 mol 258 unq 1 iso 0 dist 8.62592 5.71851 12.3042 12.3393 9.4886 17.4968 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 8.93002 5.29682 6.64729 4.98212 5.98006 6.77279 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 8.93002 6.20344 9.79538 4.98212 5.98006 9.58006 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 9.83854 7.45719 5.58514 12.5955 6.98812 9.59213 numMergedOcc 0
