0 mol 0 unq 0 iso 0 dist 7.65806 9.19007 9.64573 9.67081 8.29174 16.5238 6.0225 9.72725 6.94943 14.6538 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 7.78327 13.5229 10.6558 12.8323 9.87885 8.15894 17.9276 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 7.78327 13.5229 13.5227 12.8323 9.87885 8.45544 17.9276 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.34347 8.44506 13.2876 7.98005 12.5438 12.4814 7.11305 14.8317 6.38243 8.97754 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.34347 8.44506 13.2876 8.31381 8.39015 15.4838 7.11305 14.8317 6.38243 13.5629 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.80331 9.93832 9.06158 7.39848 9.86609 6.59887 10.8828 10.0168 7.24352 12.2699 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.64012 7.27383 6.37648 6.79356 5.87468 6.21346 4.00553 9.08221 6.87028 9.10675 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.33898 6.61823 6.08245 8.85601 17.4771 13.129 5.31547 10.9241 6.98037 10.9088 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 9.33898 6.61823 6.08245 8.85601 17.4771 13.129 4.3481 7.06939 6.9223 13.1158 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 9.33898 6.49956 6.86728 8.85601 17.4771 12.8901 4.3481 7.06939 7.0561 13.1158 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 9.64443 6.61823 7.24315 8.85601 10.2467 13.129 5.31547 9.36001 6.98037 10.9088 numMergedOcc 0
11 mol 92 unq 4 iso 0 dist 9.64443 6.61823 7.24315 8.85601 10.2467 13.129 4.3481 12.4681 6.9223 13.1158 numMergedOcc 0
12 mol 92 unq 5 iso 0 dist 9.64443 6.49956 12.163 8.85601 10.2467 12.8901 4.3481 12.4681 7.0561 13.1158 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 7.92856 8.29813 8.67903 3.9764 5.10496 8.75597 11.36 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 6.48948 7.26086 13.4985 7.92856 13.2057 8.67903 3.9764 5.92242 8.75597 11.36 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 6.10456 7.26086 6.934 7.92856 12.7473 8.67903 3.9764 5.2571 8.75597 11.36 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 6.87434 4.69658 4.25001 10.5563 13.5845 5.43933 9.24706 numMergedOcc 0
17 mol 112 unq 1 iso 0 dist 7.71338 6.43433 8.56707 6.87434 4.69658 4.25001 6.95317 8.47988 4.99604 5.92828 numMergedOcc 0
18 mol 112 unq 2 iso 0 dist 7.71338 6.43433 8.56707 6.87434 4.69658 4.25001 13.5094 18.1948 9.97483 14.0864 numMergedOcc 0
19 mol 112 unq 3 iso 0 dist 7.71338 6.43433 8.56707 6.87434 4.69658 4.25001 6.75738 13.1243 7.44041 10.3476 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 6.85062 9.29384 9.32969 8.80895 11.6692 9.6795 12.6005 14.4508 6.78801 14.4726 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 5.99315 7.25673 9.23795 8.99891 9.14188 12.6218 4.78563 5.37047 8.612 12.5751 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 5.87555 8.35555 5.59336 6.79114 4.68615 4.78989 4.94983 6.70693 7.1069 8.60651 numMergedOcc 0
23 mol 152 unq 1 iso 0 dist 5.87555 8.35555 5.59336 7.59457 4.73288 9.43672 4.94983 6.70693 7.1069 10.6225 numMergedOcc 0
24 mol 152 unq 2 iso 0 dist 8.87437 8.35555 10.9728 6.79114 9.35878 4.78989 4.94983 10.4895 7.1069 8.60651 numMergedOcc 0
25 mol 152 unq 3 iso 0 dist 8.87437 8.35555 10.9728 7.59457 4.70284 9.43672 4.94983 10.4895 7.1069 10.6225 numMergedOcc 0
26 mol 152 unq 4 iso 0 dist 8.56324 9.77552 9.35627 7.55934 9.73449 6.69469 12.4535 14.437 6.92726 12.0843 numMergedOcc 0
27 mol 178 unq 0 iso 0 dist 6.69288 4.92088 10.1489 4.72821 4.69387 8.56547 6.42973 7.06025 8.25282 9.15383 numMergedOcc 0
28 mol 178 unq 1 iso 0 dist 6.43573 4.92088 8.27339 4.72821 3.70233 8.56547 6.42973 10.0638 8.25282 9.15383 numMergedOcc 0
29 mol 178 unq 2 iso 0 dist 7.17202 4.92088 9.79302 4.72821 7.39705 8.56547 6.42973 13.2692 8.25282 9.15383 numMergedOcc 0
30 mol 178 unq 3 iso 0 dist 8.81551 4.92088 8.65097 4.72821 9.77268 8.56547 6.42973 15.0672 8.25282 9.15383 numMergedOcc 0
