0 mol 7 unq 0 iso 0 dist 8.14952 9.02869 8.4061 13.9246 7.7393 9.49373 15.4291 8.77648 9.28571 5.19202 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.14952 9.02869 8.4061 13.9246 7.7393 9.49373 14.326 16.2804 8.05125 16.7503 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 9.00925 8.68949 16.2669 4.36784 9.66021 12.3971 6.04779 14.4873 7.74386 7.48616 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.38928 5.35252 5.03338 6.39496 8.40971 8.80801 10.6637 14.2843 9.79657 12.5527 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 9.74556 9.2922 5.2172 8.90056 9.45046 13.1277 6.45611 10.9344 7.88961 14.1141 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 12.6371 9.45905 12.7637 10.2556 13.6767 9.26231 21.6229 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 6.6146 9.06641 5.12529 6.63999 9.46251 12.3131 6.3566 8.6308 7.94379 12.5661 numMergedOcc 0
7 mol 165 unq 0 iso 0 dist 8.2197 7.21397 10.5947 13.2511 5.5411 16.0639 6.27901 14.2061 7.8052 19.4578 numMergedOcc 0
8 mol 183 unq 0 iso 0 dist 7.69421 8.97652 9.01399 6.26917 9.59741 9.01322 4.92164 9.82833 9.84649 10.7823 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 7.57712 5.25149 10.1832 6.555 9.58724 7.81237 8.17619 15.6379 9.57625 11.6555 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 7.57712 8.6368 13.4455 6.555 9.58724 14.9704 7.36665 10.181 9.984 10.2973 numMergedOcc 0
11 mol 220 unq 2 iso 0 dist 7.57712 8.6368 13.4455 6.555 9.58724 14.9704 8.17619 15.6379 8.08702 11.6555 numMergedOcc 0
12 mol 223 unq 0 iso 0 dist 5.75896 6.97426 10.6184 6.5658 7.22882 11.4192 4.68566 10.1945 7.96628 7.67951 numMergedOcc 0
13 mol 223 unq 1 iso 0 dist 5.75896 8.87456 13.8469 6.5658 7.22882 13.9012 4.68566 10.1945 7.76053 7.67951 numMergedOcc 0
14 mol 223 unq 2 iso 0 dist 5.75896 8.87456 13.8469 6.5658 7.22882 13.9012 11.1044 16.5446 9.65728 14.813 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 7.47122 7.03925 4.49347 8.09748 8.23071 11.2243 6.1168 7.46044 5.07376 10.2723 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 5.97988 8.81063 10.0093 8.60417 9.79842 16.8231 5.07348 9.14793 7.53412 13.2815 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 9.59937 7.58554 5.94643 10.6145 9.05655 11.2673 8.46058 8.01565 7.10828 5.58332 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 9.0655 7.66806 14.766 5.79358 10.9114 8.73425 10.2781 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 6.08181 7.25618 11.0025 9.0655 7.66806 15.9916 5.79358 10.9114 9.65711 10.2781 numMergedOcc 0
20 mol 282 unq 0 iso 0 dist 8.61456 5.00258 9.80233 4.44911 9.8362 8.79823 6.38947 12.7565 6.51248 10.3562 numMergedOcc 0
21 mol 282 unq 1 iso 0 dist 8.41041 8.22117 9.80233 9.11051 9.8362 8.79823 5.98603 12.7565 6.51248 10.3562 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 5.76337 9.77023 7.87494 5.78097 8.49287 13.716 14.1763 15.144 8.46311 18.7726 numMergedOcc 0
