0 mol 4 unq 0 iso 0 dist 9.84876 6.8787 9.71908 10.0491 4.70233 6.66589 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 9.84876 6.8787 9.71908 11.4473 7.10738 9.80478 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.36555 9.67404 6.79478 14.6132 11.2336 6.97875 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 7.04966 9.55728 8.73627 11.3398 7.67076 8.91266 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 5.44539 6.33921 5.38191 11.7425 9.80109 8.62769 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 5.44539 6.33921 5.38191 11.1511 8.65318 6.09782 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 7.8986 9.48441 6.6003 17.9264 10.8964 9.99634 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 7.24183 6.41829 6.6003 15.2206 10.8964 9.99634 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.60363 16.3515 9.02288 20.2047 14.4661 9.89021 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 9.27331 12.3394 9.02288 15.403 14.4661 9.89021 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 9.35633 15.2099 8.25817 10.3801 5.46236 8.20865 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.59182 12.4009 8.21889 18.9999 11.6409 8.46734 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.96689 11.9436 9.48243 7.4963 7.52391 9.89098 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 9.6582 16.3678 9.48243 10.8308 7.52391 9.89098 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 6.21546 5.73338 8.69888 9.77407 11.3267 6.6776 numMergedOcc 0
15 mol 175 unq 1 iso 0 dist 6.03184 5.73338 5.08206 9.77407 4.44885 6.6776 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 8.94671 4.85077 7.86625 8.22267 4.39505 9.36307 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 7.65323 7.20088 8.31638 8.21649 4.85877 7.0119 numMergedOcc 0
18 mol 206 unq 1 iso 0 dist 8.63033 12.1408 9.72979 14.466 8.77652 7.0119 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 6.24111 13.3929 9.67457 19.0072 14.0406 6.53736 numMergedOcc 0
20 mol 210 unq 1 iso 0 dist 6.24111 13.3929 9.67457 16.0563 11.7201 8.18851 numMergedOcc 0
21 mol 210 unq 2 iso 0 dist 9.00343 12.3088 9.67457 18.584 14.0406 6.53736 numMergedOcc 0
22 mol 210 unq 3 iso 0 dist 9.00343 12.3088 9.67457 16.1383 11.7201 8.18851 numMergedOcc 0
23 mol 210 unq 4 iso 0 dist 6.41444 13.3774 9.67457 18.4028 14.0406 6.53736 numMergedOcc 0
24 mol 210 unq 5 iso 0 dist 6.41444 13.3774 9.67457 17.7181 11.7201 8.18851 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 9.81136 17.404 8.49704 15.1445 10.6403 9.40003 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 9.81136 17.404 8.49704 24.8956 15.7236 8.68385 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 9.17355 8.70715 8.48112 6.45234 11.8854 7.30244 numMergedOcc 0
28 mol 220 unq 1 iso 0 dist 9.17355 8.70715 8.48112 11.4496 12.1621 9.58343 numMergedOcc 0
29 mol 220 unq 2 iso 0 dist 8.5434 8.22716 8.48112 12.428 11.8854 7.30244 numMergedOcc 0
30 mol 220 unq 3 iso 0 dist 8.5434 8.22716 8.48112 16.4521 12.1621 9.58343 numMergedOcc 0
31 mol 220 unq 4 iso 0 dist 7.57712 6.19375 7.31105 10.9225 15.8912 8.9077 numMergedOcc 0
32 mol 223 unq 0 iso 0 dist 7.57564 4.21803 7.82697 9.03969 6.5658 7.34316 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 7.58998 6.87755 6.23882 9.31156 5.66462 4.79841 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 5.2851 5.14019 9.18675 9.70854 11.1791 6.095 numMergedOcc 0
35 mol 230 unq 0 iso 0 dist 6.23346 9.6645 9.54235 9.26431 4.32804 9.10813 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 8.97411 4.6881 5.73296 13.4359 9.0655 9.67877 numMergedOcc 0
37 mol 284 unq 0 iso 0 dist 8.60951 4.59796 8.10742 10.0128 5.36467 6.86342 numMergedOcc 0
38 mol 285 unq 0 iso 0 dist 4.74716 5.93692 8.71213 10.36 12.6654 7.66291 numMergedOcc 0
