0 mol 0 unq 0 iso 0 dist 8.82102 4.87624 7.65806 8.21826 9.67081 8.29174 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 6.87871 8.95909 9.24927 15.1968 9.99939 19.1023 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 9.23576 7.35595 7.50293 7.10133 8.83233 7.63536 numMergedOcc 0
3 mol 38 unq 1 iso 0 dist 9.23576 8.59794 9.91611 7.10133 8.83233 4.04384 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.74445 10.323 8.80331 5.46849 9.02471 12.6657 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 9.74445 14.445 6.20293 5.46849 9.02471 14.0654 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.56737 11.5882 6.35756 13.6875 7.17488 4.59417 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 8.0072 6.23522 4.73407 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.72442 11.7069 9.38498 9.61302 6.23522 4.73407 numMergedOcc 0
9 mol 101 unq 0 iso 0 dist 8.77773 5.16122 6.57035 9.58969 9.23765 7.89838 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 9.01767 6.42572 7.36792 8.94532 5.54256 3.48119 numMergedOcc 0
11 mol 102 unq 1 iso 0 dist 9.80678 5.54551 7.36792 6.94341 5.54256 3.48119 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 8.42445 7.18757 7.5732 13.1958 9.93438 6.25685 numMergedOcc 0
13 mol 122 unq 0 iso 0 dist 8.33083 12.4383 8.37808 12.2092 4.42563 7.90729 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 6.29026 11.5533 8.54584 6.14663 7.97548 12.5321 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 6.29026 11.5533 8.54584 5.32811 9.64164 11.3755 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 7.83619 10.0837 9.28393 4.81304 5.92733 6.00473 numMergedOcc 0
17 mol 130 unq 1 iso 0 dist 9.91643 7.40242 9.28393 11.0219 5.92733 6.00473 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 5.51548 8.80895 11.6692 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 6.5874 7.60371 6.85062 5.61122 8.80895 11.6692 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 8.84018 8.00493 6.5107 3.75786 5.78814 6.12885 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 8.89982 13.2491 8.56324 4.19899 7.55934 9.73449 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 9.10619 9.66339 8.56324 17.3816 9.00072 12.2243 numMergedOcc 0
23 mol 152 unq 2 iso 0 dist 9.10619 13.9994 6.70283 17.3816 9.00072 4.73288 numMergedOcc 0
24 mol 152 unq 3 iso 0 dist 9.10619 14.2552 7.16148 17.3816 9.00072 4.70284 numMergedOcc 0
25 mol 152 unq 4 iso 0 dist 9.74498 10.7816 8.67331 6.37913 7.55419 4.73288 numMergedOcc 0
26 mol 152 unq 5 iso 0 dist 9.74498 7.26476 8.05741 6.37913 7.55419 4.70284 numMergedOcc 0
27 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 10.8953 9.19156 13.8965 numMergedOcc 0
28 mol 178 unq 0 iso 0 dist 8.0974 12.2822 6.69288 12.4011 4.72821 4.69387 numMergedOcc 0
29 mol 178 unq 1 iso 0 dist 8.0974 12.4338 6.43573 12.4011 4.72821 3.70233 numMergedOcc 0
30 mol 178 unq 2 iso 0 dist 8.0974 13.9722 7.17202 12.4011 4.72821 7.39705 numMergedOcc 0
31 mol 178 unq 3 iso 0 dist 8.0974 13.5599 8.81551 12.4011 4.72821 9.77268 numMergedOcc 0
32 mol 180 unq 0 iso 0 dist 8.44989 9.76368 9.62337 6.15473 9.63576 4.38407 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 8.43584 12.4616 9.61492 14.8213 9.31158 10.8636 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 8.43584 10.6123 7.45763 14.8213 9.31158 5.42503 numMergedOcc 0
35 mol 210 unq 0 iso 0 dist 9.67457 5.82028 6.18308 8.81074 6.85824 4.29623 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 6.37342 5.29737 6.16342 7.72768 4.43499 4.32238 numMergedOcc 0
37 mol 258 unq 0 iso 0 dist 5.81927 9.49027 6.97229 4.87461 7.12221 6.24714 numMergedOcc 0
38 mol 258 unq 1 iso 0 dist 5.81927 9.49027 6.97229 9.93118 5.4557 4.02333 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 9.696 10.7962 7.56915 10.9841 9.83622 4.24652 numMergedOcc 0
40 mol 274 unq 1 iso 0 dist 9.696 5.1874 8.49997 10.9841 9.83622 7.38951 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 6.90434 13.2927 9.7748 11.5613 4.9764 11.8607 numMergedOcc 0
42 mol 277 unq 1 iso 0 dist 6.90434 13.2927 9.7748 13.0566 6.36559 10.9137 numMergedOcc 0
