0 mol 0 unq 0 iso 0 dist 8.24206 5.25456 7.37981 7.79534 6.63977 7.40865 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.19218 5.25456 7.19621 7.79534 4.76647 7.40865 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.19397 7.1599 7.19621 11.0073 4.76647 7.40865 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 9.67498 15.0231 9.85726 11.6018 5.25379 6.7985 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 9.67498 15.0231 9.85726 12.6759 5.03532 6.44736 numMergedOcc 0
5 mol 7 unq 2 iso 0 dist 9.32945 17.302 9.85726 12.0954 5.25379 6.7985 numMergedOcc 0
6 mol 7 unq 3 iso 0 dist 9.32945 17.302 9.85726 12.3301 5.03532 6.44736 numMergedOcc 0
7 mol 11 unq 0 iso 0 dist 9.36555 9.67404 6.79478 11.216 5.15125 4.30695 numMergedOcc 0
8 mol 11 unq 1 iso 0 dist 9.36555 9.67404 6.79478 11.1053 10.9655 6.35398 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 5.44539 6.33921 5.38191 10.3051 5.33825 7.07339 numMergedOcc 0
10 mol 54 unq 1 iso 0 dist 5.44539 6.33921 5.38191 11.2189 6.51649 7.23317 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 5.39171 10.5627 6.89722 10.9561 11.5412 9.24757 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 9.27355 10.5627 7.26679 10.9561 11.2253 9.24757 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 8.67865 5.1767 4.98104 6.15654 9.52463 6.95572 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 8.67865 5.1767 4.98104 7.89887 6.07224 7.38677 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 9.35633 16.255 9.59261 12.6647 5.24592 5.78706 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 9.35633 9.75148 6.67936 12.6647 5.24592 5.59328 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 9.35633 15.2099 8.25817 12.6647 5.24592 7.5242 numMergedOcc 0
18 mol 108 unq 0 iso 0 dist 9.32474 5.60268 7.29462 12.9071 4.70778 9.01852 numMergedOcc 0
19 mol 108 unq 1 iso 0 dist 9.32474 5.60268 7.29462 14.3115 11.386 9.75958 numMergedOcc 0
20 mol 108 unq 2 iso 0 dist 8.80334 5.60268 5.4057 12.9071 6.76634 9.01852 numMergedOcc 0
21 mol 108 unq 3 iso 0 dist 8.80334 5.60268 5.4057 14.3115 6.17742 9.75958 numMergedOcc 0
22 mol 114 unq 0 iso 0 dist 5.31281 5.24877 8.42445 11.4347 12.5697 6.84011 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 7.67341 5.3967 6.7225 11.0607 6.39438 6.92026 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 8.24549 4.99061 6.49205 11.6949 6.25204 8.00003 numMergedOcc 0
25 mol 130 unq 0 iso 0 dist 6.94435 6.34094 9.91643 12.174 11.6197 7.96646 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 7.96689 11.9436 9.48243 17.5577 11.7748 9.97654 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 9.6582 16.3678 9.48243 20.6269 11.7748 9.97654 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 8.78709 9.49952 6.00053 15.8944 10.8517 6.46704 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 8.78709 9.49952 6.00053 10.2433 5.87168 6.59025 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 5.69763 11.4562 9.48439 11.3191 7.25062 8.29382 numMergedOcc 0
31 mol 194 unq 1 iso 0 dist 5.69763 11.4562 9.48439 6.57575 6.38935 6.72379 numMergedOcc 0
32 mol 194 unq 2 iso 0 dist 7.38622 5.55582 7.32478 11.2528 5.35575 8.29382 numMergedOcc 0
33 mol 194 unq 3 iso 0 dist 7.38622 5.55582 7.32478 9.30761 7.75447 6.72379 numMergedOcc 0
34 mol 194 unq 4 iso 0 dist 8.82165 5.55582 9.48439 11.2528 7.25062 8.29382 numMergedOcc 0
35 mol 194 unq 5 iso 0 dist 8.82165 5.55582 9.48439 9.30761 6.38935 6.72379 numMergedOcc 0
36 mol 197 unq 0 iso 0 dist 8.51118 8.58314 8.64255 9.87211 4.91904 7.50013 numMergedOcc 0
37 mol 197 unq 1 iso 0 dist 8.51118 8.58314 8.64255 6.3997 7.59634 5.81233 numMergedOcc 0
38 mol 197 unq 2 iso 0 dist 8.51118 8.58314 8.64255 14.5693 10.3181 6.92924 numMergedOcc 0
39 mol 197 unq 3 iso 0 dist 8.51118 8.58314 8.64255 14.557 14.2718 7.14306 numMergedOcc 0
40 mol 198 unq 0 iso 0 dist 4.58291 4.81051 6.47339 8.28295 5.47473 6.34616 numMergedOcc 0
41 mol 210 unq 0 iso 0 dist 6.24111 13.3929 9.67457 12.8837 11.6718 7.10826 numMergedOcc 0
42 mol 210 unq 1 iso 0 dist 9.00343 12.3088 9.67457 10.5315 11.6718 7.10826 numMergedOcc 0
43 mol 210 unq 2 iso 0 dist 6.41444 13.3774 9.67457 16.1082 11.6718 7.10826 numMergedOcc 0
44 mol 220 unq 0 iso 0 dist 7.86207 10.6943 9.8711 7.46122 4.39102 6.59716 numMergedOcc 0
45 mol 226 unq 0 iso 0 dist 7.20862 10.5706 9.5723 12.0615 7.93097 6.11704 numMergedOcc 0
46 mol 231 unq 0 iso 0 dist 7.28719 10.9863 7.79865 13.7652 7.00432 6.98875 numMergedOcc 0
47 mol 231 unq 1 iso 0 dist 7.28719 10.2117 6.14348 13.7652 7.00432 6.54852 numMergedOcc 0
48 mol 231 unq 2 iso 0 dist 6.60684 8.54452 7.79865 12.0383 7.00432 6.98875 numMergedOcc 0
49 mol 231 unq 3 iso 0 dist 6.60684 6.95128 6.14348 12.0383 7.00432 6.54852 numMergedOcc 0
50 mol 238 unq 0 iso 0 dist 6.74214 6.3873 9.31417 12.3944 16.7165 9.24557 numMergedOcc 0
51 mol 238 unq 1 iso 0 dist 5.33462 6.3873 5.56719 12.3944 11.9863 9.24557 numMergedOcc 0
52 mol 241 unq 0 iso 0 dist 9.174 7.93809 9.72526 10.2312 7.18308 7.89524 numMergedOcc 0
53 mol 249 unq 0 iso 0 dist 6.18866 12.5843 7.29898 15.2599 10.4369 5.48118 numMergedOcc 0
54 mol 249 unq 1 iso 0 dist 9.3807 12.5843 8.91685 15.2599 13.4788 5.48118 numMergedOcc 0
55 mol 258 unq 0 iso 0 dist 8.57305 6.51074 5.81927 13.1204 7.15953 7.6595 numMergedOcc 0
56 mol 258 unq 1 iso 0 dist 8.57305 5.57797 6.09782 14.7385 8.01004 9.63959 numMergedOcc 0
57 mol 259 unq 0 iso 0 dist 9.45077 8.63445 7.93997 15.3897 10.9643 7.08526 numMergedOcc 0
58 mol 259 unq 1 iso 0 dist 4.55368 6.18571 7.93997 10.9688 10.9643 7.08526 numMergedOcc 0
59 mol 278 unq 0 iso 0 dist 8.87405 8.66976 9.82774 14.1922 11.9007 8.00673 numMergedOcc 0
60 mol 282 unq 0 iso 0 dist 7.93511 9.67023 5.67266 14.0832 7.46507 9.0975 numMergedOcc 0
61 mol 282 unq 1 iso 0 dist 5.62497 8.13794 9.63346 13.3375 10.4926 9.0975 numMergedOcc 0
