0 mol 7 unq 0 iso 0 dist 8.57437 10.0257 9.67498 17.7278 9.85726 15.0231 11.4767 5.25379 11.6018 6.7985 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 10.0257 9.67498 17.7278 9.85726 15.0231 13.6036 5.03532 12.6759 6.44736 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.57437 9.33944 9.32945 17.7278 9.85726 17.302 11.4767 5.25379 12.0954 6.7985 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.57437 9.33944 9.32945 17.7278 9.85726 17.302 13.6036 5.03532 12.3301 6.44736 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 5.58346 7.53682 5.39171 4.69583 6.89722 10.5627 9.54477 11.5412 10.9561 9.24757 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.10386 7.53682 9.27355 4.69583 7.26679 10.5627 9.54477 11.2253 10.9561 9.24757 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 9.66744 14.7261 5.39171 8.59095 6.89722 10.5627 17.7136 11.5412 10.9561 9.24757 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 6.78043 8.6267 8.67865 7.17015 4.98104 5.1767 13.0999 9.52463 6.15654 6.95572 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 6.78043 8.6267 8.67865 7.17015 4.98104 5.1767 10.7591 6.07224 7.89887 7.38677 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 5.74364 4.68995 8.67865 4.52119 4.98104 5.1767 9.18898 9.52463 6.15654 6.95572 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 5.74364 4.68995 8.67865 4.52119 4.98104 5.1767 7.67331 6.07224 7.89887 7.38677 numMergedOcc 0
11 mol 108 unq 0 iso 0 dist 5.52402 4.2179 9.32474 4.93762 7.29462 5.60268 9.51844 4.70778 12.9071 9.01852 numMergedOcc 0
12 mol 108 unq 1 iso 0 dist 5.52402 4.2179 9.32474 4.93762 7.29462 5.60268 13.3384 11.386 14.3115 9.75958 numMergedOcc 0
13 mol 108 unq 2 iso 0 dist 7.57593 4.2179 8.80334 4.93762 5.4057 5.60268 9.51844 6.76634 12.9071 9.01852 numMergedOcc 0
14 mol 108 unq 3 iso 0 dist 7.57593 4.2179 8.80334 4.93762 5.4057 5.60268 13.3384 6.17742 14.3115 9.75958 numMergedOcc 0
15 mol 108 unq 4 iso 0 dist 6.79804 10.5919 9.32474 12.0414 7.29462 5.60268 10.9819 4.70778 12.9071 9.01852 numMergedOcc 0
16 mol 108 unq 5 iso 0 dist 6.79804 10.5919 9.32474 12.0414 7.29462 5.60268 17.1234 11.386 14.3115 9.75958 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 4.96259 5.53632 8.78709 4.11061 6.00053 9.49952 10.5689 10.8517 15.8944 6.46704 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 4.96259 5.53632 8.78709 4.11061 6.00053 9.49952 6.95568 5.87168 10.2433 6.59025 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 5.79753 12.1167 8.51118 13.0113 8.64255 8.58314 10.4552 4.91904 9.87211 7.50013 numMergedOcc 0
20 mol 197 unq 1 iso 0 dist 5.79753 12.1167 8.51118 13.0113 8.64255 8.58314 13.1777 7.59634 6.3997 5.81233 numMergedOcc 0
21 mol 197 unq 2 iso 0 dist 5.79753 12.1167 8.51118 13.0113 8.64255 8.58314 13.081 10.3181 14.5693 6.92924 numMergedOcc 0
22 mol 197 unq 3 iso 0 dist 5.79753 12.1167 8.51118 13.0113 8.64255 8.58314 19.1389 14.2718 14.557 7.14306 numMergedOcc 0
23 mol 197 unq 4 iso 0 dist 7.56537 5.79567 8.51118 4.57437 8.64255 8.58314 8.98598 4.91904 9.87211 7.50013 numMergedOcc 0
24 mol 197 unq 5 iso 0 dist 7.56537 5.79567 8.51118 4.57437 8.64255 8.58314 7.06689 7.59634 6.3997 5.81233 numMergedOcc 0
25 mol 197 unq 6 iso 0 dist 7.56537 5.79567 8.51118 4.57437 8.64255 8.58314 9.69601 10.3181 14.5693 6.92924 numMergedOcc 0
26 mol 197 unq 7 iso 0 dist 7.56537 5.79567 8.51118 4.57437 8.64255 8.58314 11.6502 14.2718 14.557 7.14306 numMergedOcc 0
27 mol 226 unq 0 iso 0 dist 8.10096 6.92911 7.20862 5.47434 9.5723 10.5706 7.04477 7.93097 12.0615 6.11704 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 9.91921 6.12122 6.74214 4.7157 9.31417 6.3873 12.6054 16.7165 12.3944 9.24557 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 8.20243 6.12122 5.33462 4.7157 5.56719 6.3873 12.6054 11.9863 12.3944 9.24557 numMergedOcc 0
30 mol 241 unq 0 iso 0 dist 8.15897 6.70277 9.174 9.87799 9.72526 7.93809 12.949 7.18308 10.2312 7.89524 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 9.4886 12.1075 8.57305 11.9201 5.81927 6.51074 15.7189 7.15953 13.1204 7.6595 numMergedOcc 0
32 mol 258 unq 1 iso 0 dist 9.4886 12.1075 8.57305 8.27707 6.09782 5.57797 8.63176 8.01004 14.7385 9.63959 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 5.22111 9.98638 9.45077 5.41945 7.93997 8.63445 8.90398 10.9643 15.3897 7.08526 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 5.22111 6.92619 4.55368 5.41945 7.93997 6.18571 8.90398 10.9643 10.9688 7.08526 numMergedOcc 0
35 mol 259 unq 2 iso 0 dist 8.53598 12.9823 9.45077 10.2837 7.93997 8.63445 13.1824 10.9643 15.3897 7.08526 numMergedOcc 0
36 mol 259 unq 3 iso 0 dist 8.53598 11.3266 4.55368 10.2837 7.93997 6.18571 13.1824 10.9643 10.9688 7.08526 numMergedOcc 0
37 mol 278 unq 0 iso 0 dist 6.83278 8.84423 8.87405 13.5373 9.82774 8.66976 18.0863 11.9007 14.1922 8.00673 numMergedOcc 0
