0 mol 8 unq 0 iso 0 dist 7.58816 8.79328 4.92734 14.7448 7.35767 8.96553 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.58816 8.5845 6.57999 14.7448 7.35767 9.62879 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 9.35488 14.4041 9.31271 18.1123 10.3326 9.04767 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 8.24798 4.25207 6.39243 11.0331 15.2831 9.51761 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 8.24798 4.25207 6.39243 11.4245 9.30561 7.3094 numMergedOcc 0
5 mol 18 unq 2 iso 0 dist 8.02079 4.25207 9.1715 11.0331 17.8306 9.51761 numMergedOcc 0
6 mol 18 unq 3 iso 0 dist 8.02079 4.25207 9.1715 11.4245 14.3582 7.3094 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 8.34361 13.2619 6.54183 5.97635 5.65405 8.10861 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 9.91313 7.49081 9.70415 10.5781 5.46309 6.65721 numMergedOcc 0
9 mol 61 unq 1 iso 0 dist 9.91313 7.49081 9.70415 12.4244 11.9897 6.72123 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 6.04611 9.299 5.57265 11.351 5.58109 7.9245 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 9.56911 5.36296 8.44515 10.1738 6.1985 5.83409 numMergedOcc 0
12 mol 90 unq 1 iso 0 dist 7.68053 4.8042 8.44515 7.75811 6.1985 5.83409 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 5.87592 6.59772 8.97043 12.6493 11.8721 9.33865 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 5.87592 6.59772 8.97043 4.98864 5.19652 6.11741 numMergedOcc 0
15 mol 115 unq 2 iso 0 dist 8.37388 4.86477 8.97043 13.7044 11.8721 9.33865 numMergedOcc 0
16 mol 115 unq 3 iso 0 dist 8.37388 4.86477 8.97043 7.95871 5.19652 6.11741 numMergedOcc 0
17 mol 117 unq 0 iso 0 dist 8.85708 4.60144 8.81172 11.3462 5.34484 9.84395 numMergedOcc 0
18 mol 125 unq 0 iso 0 dist 8.12448 4.71345 6.03557 12.3235 5.14495 8.62381 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 9.66828 7.59962 6.23966 13.8631 5.16275 9.61051 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 9.66828 7.59962 6.23966 12.5845 6.65856 5.83384 numMergedOcc 0
21 mol 155 unq 0 iso 0 dist 6.80942 4.94973 5.68636 11.1867 7.92939 6.43582 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 6.64749 5.97308 5.16813 10.4693 5.87924 9.70748 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 6.64749 5.97308 5.16813 11.5274 8.61343 7.54065 numMergedOcc 0
24 mol 186 unq 2 iso 0 dist 6.64749 5.97308 5.16813 14.549 11.0854 8.87694 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 8.18597 5.92777 7.71761 8.7511 5.841 7.55216 numMergedOcc 0
26 mol 230 unq 0 iso 0 dist 8.95575 8.898 5.62804 11.8177 6.33989 6.7547 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.18345 5.33567 6.06422 6.24928 5.33697 6.57393 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 5.83646 5.60375 4.87108 10.9193 7.45873 6.22714 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 5.83646 6.45589 7.64276 10.9193 7.45873 7.31233 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 9.87224 9.86326 6.83046 13.2218 4.77446 6.16342 numMergedOcc 0
31 mol 256 unq 0 iso 0 dist 8.88264 6.4717 5.98967 12.8383 6.64029 8.29103 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 6.41167 7.52881 8.21585 5.73834 5.13233 6.42289 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 5.16838 4.62072 5.75874 5.90645 5.20592 8.53687 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 9.80725 12.7699 8.57619 12.9189 5.43184 5.30224 numMergedOcc 0
35 mol 272 unq 0 iso 0 dist 9.89289 9.37952 7.31993 14.8749 7.33684 9.97651 numMergedOcc 0
36 mol 272 unq 1 iso 0 dist 9.89289 9.37952 7.31993 17.2826 10.4451 8.46116 numMergedOcc 0
37 mol 280 unq 0 iso 0 dist 4.26671 10.0206 8.80588 9.16248 8.30978 6.53701 numMergedOcc 0
38 mol 280 unq 1 iso 0 dist 4.26671 10.0206 8.80588 9.02427 5.80223 6.0664 numMergedOcc 0
