0 mol 9 unq 0 iso 0 dist 8.77049 11.3797 6.33889 9.8978 6.0397 9.62394 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.95341 11.7623 6.33889 6.26276 6.0397 9.62394 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.61158 7.63656 8.21493 5.19544 6.33828 7.07399 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.62693 10.2609 8.82012 9.27369 4.98603 6.46104 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 7.88576 14.4244 8.68559 11.784 7.14527 7.99969 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 8.68726 10.8906 8.24062 12.9701 7.0313 6.73347 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 8.0578 11.1675 7.20326 16.3287 9.79891 7.70232 numMergedOcc 0
7 mol 117 unq 1 iso 0 dist 8.0578 11.1675 7.20326 17.054 9.97229 7.4671 numMergedOcc 0
8 mol 117 unq 2 iso 0 dist 8.78982 6.7814 7.20326 12.6334 9.79891 7.70232 numMergedOcc 0
9 mol 117 unq 3 iso 0 dist 8.78982 6.7814 7.20326 10.3116 9.97229 7.4671 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.90096 5.59449 6.91348 13.6954 9.93183 8.70296 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 9.90096 5.59449 6.91348 10.9811 5.90177 9.25558 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 9.16944 10.1253 9.87281 13.2147 7.6506 8.69157 numMergedOcc 0
13 mol 155 unq 1 iso 0 dist 7.50392 4.94973 9.38946 10.9644 9.50478 7.92304 numMergedOcc 0
14 mol 155 unq 2 iso 0 dist 8.02593 5.01007 7.39644 10.463 6.40403 6.53347 numMergedOcc 0
15 mol 155 unq 3 iso 0 dist 8.02593 9.80448 7.36102 12.8574 5.50045 7.92304 numMergedOcc 0
16 mol 155 unq 4 iso 0 dist 8.77391 12.7814 7.39644 13.788 6.40403 6.53347 numMergedOcc 0
17 mol 155 unq 5 iso 0 dist 8.77391 4.94973 7.36102 10.9644 5.50045 7.92304 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 9.19849 8.66436 8.62646 15.1236 7.31643 9.67741 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 8.45395 9.47799 6.94688 5.66363 4.43678 8.90963 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 9.15368 9.09989 6.94688 5.97968 4.43678 8.90963 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 9.20477 4.98009 6.94688 8.63119 4.43678 8.90963 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 5.41368 9.47799 6.71012 5.66363 6.03415 8.90963 numMergedOcc 0
23 mol 181 unq 4 iso 0 dist 7.96182 9.09989 6.71012 5.97968 6.03415 8.90963 numMergedOcc 0
24 mol 181 unq 5 iso 0 dist 7.90237 4.98009 6.71012 8.63119 6.03415 8.90963 numMergedOcc 0
25 mol 181 unq 6 iso 0 dist 9.70025 6.20895 7.37327 10.8862 5.35588 5.94469 numMergedOcc 0
26 mol 181 unq 7 iso 0 dist 6.17129 4.3158 4.93785 12.7332 7.30555 9.39829 numMergedOcc 0
27 mol 181 unq 8 iso 0 dist 5.83596 4.3226 4.93785 9.46838 7.30555 9.39829 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 7.52171 10.2633 6.47873 13.3459 10.7231 8.65535 numMergedOcc 0
29 mol 194 unq 1 iso 0 dist 6.289 7.72655 5.48258 10.0521 4.79043 8.29382 numMergedOcc 0
30 mol 194 unq 2 iso 0 dist 6.289 7.72655 5.48258 9.76361 4.26755 6.72379 numMergedOcc 0
31 mol 195 unq 0 iso 0 dist 7.63511 8.97729 8.36117 8.80931 4.4994 9.26504 numMergedOcc 0
32 mol 197 unq 0 iso 0 dist 8.32685 10.5326 8.99696 16.3411 11.1666 7.50013 numMergedOcc 0
33 mol 197 unq 1 iso 0 dist 8.32685 10.5326 8.99696 15.8131 13.3562 5.81233 numMergedOcc 0
34 mol 197 unq 2 iso 0 dist 8.32685 10.5326 8.99696 10.5245 4.59269 6.92924 numMergedOcc 0
35 mol 197 unq 3 iso 0 dist 8.32685 10.5326 8.99696 15.0846 12.9766 7.14306 numMergedOcc 0
36 mol 197 unq 4 iso 0 dist 6.74777 5.29309 8.99696 11.2331 11.1666 7.50013 numMergedOcc 0
37 mol 197 unq 5 iso 0 dist 6.74777 5.29309 8.99696 10.433 13.3562 5.81233 numMergedOcc 0
38 mol 197 unq 6 iso 0 dist 6.74777 5.29309 8.99696 7.40027 4.59269 6.92924 numMergedOcc 0
39 mol 197 unq 7 iso 0 dist 6.74777 5.29309 8.99696 11.0908 12.9766 7.14306 numMergedOcc 0
40 mol 197 unq 8 iso 0 dist 9.62514 4.57437 8.99696 8.98598 11.1666 7.50013 numMergedOcc 0
41 mol 197 unq 9 iso 0 dist 9.62514 4.57437 8.99696 7.06689 13.3562 5.81233 numMergedOcc 0
42 mol 197 unq 10 iso 0 dist 9.62514 4.57437 8.99696 9.69601 4.59269 6.92924 numMergedOcc 0
43 mol 197 unq 11 iso 0 dist 9.62514 4.57437 8.99696 11.6502 12.9766 7.14306 numMergedOcc 0
44 mol 218 unq 0 iso 0 dist 8.27907 10.2817 7.18041 13.2699 6.16211 6.1951 numMergedOcc 0
45 mol 218 unq 1 iso 0 dist 7.90156 11.7195 7.17547 13.472 7.21048 6.1951 numMergedOcc 0
46 mol 219 unq 0 iso 0 dist 7.1158 5.0241 4.87541 7.13099 3.92926 7.59632 numMergedOcc 0
47 mol 222 unq 0 iso 0 dist 7.35476 4.82768 6.82208 5.89818 7.39748 7.67576 numMergedOcc 0
48 mol 222 unq 1 iso 0 dist 7.35476 4.82768 6.82208 9.32543 5.08928 9.82371 numMergedOcc 0
49 mol 232 unq 0 iso 0 dist 7.79085 12.6449 7.07392 17.7103 10.9886 8.50102 numMergedOcc 0
50 mol 232 unq 1 iso 0 dist 6.48753 10.0878 7.07392 16.6261 10.9886 8.50102 numMergedOcc 0
51 mol 232 unq 2 iso 0 dist 7.83802 8.32185 7.07392 16.1659 10.9886 8.50102 numMergedOcc 0
52 mol 235 unq 0 iso 0 dist 9.74324 13.6747 5.65339 16.109 7.96337 6.21292 numMergedOcc 0
53 mol 235 unq 1 iso 0 dist 9.74324 13.6747 5.65339 12.3837 4.29892 6.95126 numMergedOcc 0
54 mol 238 unq 0 iso 0 dist 9.77231 9.18011 9.29858 16.6167 10.3809 9.24557 numMergedOcc 0
55 mol 238 unq 1 iso 0 dist 6.24435 6.76977 6.05141 10.1235 11.5793 8.94014 numMergedOcc 0
56 mol 238 unq 2 iso 0 dist 6.24435 10.4548 8.09066 10.1235 11.5793 7.02333 numMergedOcc 0
57 mol 238 unq 3 iso 0 dist 6.24435 10.7712 7.2766 10.1235 11.5793 8.67864 numMergedOcc 0
58 mol 264 unq 0 iso 0 dist 8.44015 11.2529 9.0012 15.4255 9.76317 7.16853 numMergedOcc 0
59 mol 264 unq 1 iso 0 dist 6.21206 11.2529 9.5784 15.4255 13.9064 7.16853 numMergedOcc 0
