0 mol 2 unq 0 iso 0 dist 7.99162 6.38677 9.58976 13.4315 9.97525 9.08872 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 7.99162 6.38677 9.58976 9.9335 11.2776 7.37296 numMergedOcc 0
2 mol 2 unq 2 iso 0 dist 7.99162 5.59831 6.35342 13.4315 9.97525 9.74371 numMergedOcc 0
3 mol 4 unq 0 iso 0 dist 8.66947 6.80703 9.71908 6.22303 6.8787 9.84876 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 9.28341 12.5091 8.39221 12.9829 4.15151 7.66311 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.72872 10.3388 5.38191 12.3331 6.33921 5.44539 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 5.50504 5.25196 9.62468 7.96502 6.32949 8.30431 numMergedOcc 0
7 mol 61 unq 1 iso 0 dist 5.50504 6.97911 5.92705 7.96502 6.32949 4.628 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.8079 11.4622 4.98104 14.3988 5.1767 8.67865 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 8.3558 5.38868 4.98104 8.98532 5.1767 8.67865 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 8.84131 10.8385 9.10229 6.7095 7.49575 5.43401 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 9.23803 5.20171 9.74643 11.0154 12.8701 8.59182 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 8.05028 5.20171 6.86702 11.0154 5.95831 8.59182 numMergedOcc 0
13 mol 111 unq 0 iso 0 dist 6.34542 11.5209 8.42147 17.5523 13.3198 8.83191 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 6.99793 5.67441 7.25166 6.15949 7.65733 5.31281 numMergedOcc 0
15 mol 114 unq 1 iso 0 dist 6.71345 5.67441 8.42445 6.15949 5.24877 5.31281 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 9.50575 9.78923 6.7225 9.60865 5.3967 7.67341 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 8.43116 7.46653 6.7225 12.6771 5.3967 7.67341 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 8.04723 6.1397 8.0974 9.3355 13.6129 8.14441 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.74465 12.774 6.00053 19.0375 9.49952 8.78709 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 7.70631 16.2482 8.64255 13.2088 8.58314 8.51118 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 5.82039 10.3181 8.31638 12.0866 7.20088 7.65323 numMergedOcc 0
22 mol 206 unq 1 iso 0 dist 5.82039 8.09615 9.72979 13.9226 12.1408 8.63033 numMergedOcc 0
23 mol 206 unq 2 iso 0 dist 6.22964 8.09615 6.97859 13.9226 9.19627 8.63033 numMergedOcc 0
24 mol 210 unq 0 iso 0 dist 8.58471 15.9233 9.67457 17.8352 13.3929 6.24111 numMergedOcc 0
25 mol 210 unq 1 iso 0 dist 8.58471 15.9233 9.67457 15.2952 12.3088 9.00343 numMergedOcc 0
26 mol 210 unq 2 iso 0 dist 8.58471 15.9233 9.67457 20.3573 13.3774 6.41444 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 8.14644 14.5536 7.31105 10.4705 6.19375 7.57712 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 9.66521 5.34424 9.18675 8.25412 5.14019 5.2851 numMergedOcc 0
29 mol 241 unq 0 iso 0 dist 8.23536 4.56189 9.72526 11.0484 7.93809 9.174 numMergedOcc 0
30 mol 241 unq 1 iso 0 dist 6.90245 10.121 9.72526 7.16232 7.93809 9.174 numMergedOcc 0
31 mol 248 unq 0 iso 0 dist 7.40475 11.0674 8.71859 11.8652 9.48478 8.11968 numMergedOcc 0
32 mol 264 unq 0 iso 0 dist 9.07206 5.7123 6.28512 9.91369 8.70128 7.61232 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 9.38793 12.7183 6.60309 13.5506 5.28949 8.81903 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 8.53324 7.09461 9.02914 10.6227 6.16829 6.23539 numMergedOcc 0
35 mol 277 unq 2 iso 0 dist 7.23956 7.09461 6.90434 10.6227 7.44724 6.23539 numMergedOcc 0
36 mol 277 unq 3 iso 0 dist 8.66941 16.013 9.02914 14.811 6.16829 6.23539 numMergedOcc 0
37 mol 278 unq 0 iso 0 dist 9.91518 5.49004 9.82774 6.03414 8.66976 8.87405 numMergedOcc 0
38 mol 285 unq 0 iso 0 dist 9.82717 14.401 8.71213 11.6641 5.93692 4.74716 numMergedOcc 0
39 mol 285 unq 1 iso 0 dist 8.33653 8.64319 8.71213 8.17214 5.93692 4.74716 numMergedOcc 0
40 mol 285 unq 2 iso 0 dist 6.44657 14.1417 8.71213 11.464 5.93692 4.74716 numMergedOcc 0
