0 mol 0 unq 0 iso 0 dist 8.82108 8.82652 5.22416 10.1875 14.0721 9.72725 12.7669 11.2001 6.0225 7.65806 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.90148 8.82652 9.94405 10.1875 16.0611 9.72725 12.7669 15.498 6.0225 7.65806 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41173 9.96415 13.1033 14.6751 15.1419 9.67164 14.5008 17.1684 13.156 7.10621 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.41173 9.96415 13.1033 7.15287 13.8674 5.99459 6.22892 6.3027 6.88805 8.41585 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 7.55357 4.74069 6.66655 7.46414 12.6659 7.26639 8.80956 9.58231 4.40004 7.50293 numMergedOcc 0
5 mol 38 unq 1 iso 0 dist 7.55357 4.74069 6.66655 7.46414 12.6659 7.26639 12.4417 14.6297 8.68364 9.91611 numMergedOcc 0
6 mol 38 unq 2 iso 0 dist 5.86972 4.74069 4.57886 7.46414 9.23576 7.26639 8.80956 7.35595 4.40004 7.50293 numMergedOcc 0
7 mol 38 unq 3 iso 0 dist 5.86972 4.74069 4.57886 7.46414 9.23576 7.26639 12.4417 8.59794 8.68364 9.91611 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 7.07421 9.31543 5.04019 4.80675 6.29026 6.69691 10.1938 11.5533 8.26896 8.54584 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 7.07421 8.85652 4.79473 4.80675 6.29026 5.51197 10.1938 11.5533 12.1739 8.54584 numMergedOcc 0
10 mol 129 unq 2 iso 0 dist 8.34427 8.57774 13.2297 5.99695 11.5151 5.58833 10.482 12.2044 9.00231 5.83384 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 7.9663 9.67398 9.69908 7.09664 12.0527 6.93139 9.05626 9.97628 4.97996 8.70949 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 8.15549 8.62632 12.032 11.6877 11.5642 6.89918 17.544 13.8118 12.9631 7.7059 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 5.59682 9.17216 9.0696 6.62991 8.89982 6.59889 11.2249 13.2491 5.39112 8.56324 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 5.59682 9.17216 9.0696 13.4463 14.5119 6.70693 13.9365 13.8698 4.94983 5.87555 numMergedOcc 0
15 mol 152 unq 2 iso 0 dist 5.59682 9.17216 9.0696 13.4463 14.5119 6.70693 11.2249 13.2491 5.39112 6.70283 numMergedOcc 0
16 mol 152 unq 3 iso 0 dist 5.59682 9.17216 9.0696 13.4463 14.5119 6.70693 17.5113 18.5464 9.67475 8.67331 numMergedOcc 0
17 mol 152 unq 4 iso 0 dist 5.59682 9.44172 9.83062 6.62991 8.89982 8.9192 11.2249 13.2491 4.84714 8.56324 numMergedOcc 0
18 mol 152 unq 5 iso 0 dist 7.71277 9.40483 9.0696 7.17016 8.89982 6.59889 13.9298 13.2491 5.39112 8.56324 numMergedOcc 0
19 mol 152 unq 6 iso 0 dist 7.71277 9.40483 9.0696 11.3742 14.5119 6.70693 13.1463 13.8698 4.94983 5.87555 numMergedOcc 0
20 mol 152 unq 7 iso 0 dist 7.71277 9.40483 9.0696 11.3742 14.5119 6.70693 13.9298 13.2491 5.39112 6.70283 numMergedOcc 0
21 mol 152 unq 8 iso 0 dist 7.71277 9.40483 9.0696 11.3742 14.5119 6.70693 18.3042 18.5464 9.67475 8.67331 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 6.47689 8.39573 5.71744 12.5935 11.5992 9.01624 13.3844 11.067 5.71898 7.81386 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 6.47689 8.39573 5.71744 12.5935 11.5992 9.01624 9.63295 5.16386 5.93724 7.63312 numMergedOcc 0
24 mol 182 unq 0 iso 0 dist 8.94671 8.8774 4.82437 4.85077 7.86625 9.56028 12.503 5.40949 8.82964 9.31746 numMergedOcc 0
25 mol 223 unq 0 iso 0 dist 7.57564 7.27963 6.50937 10.6103 12.0329 6.42257 10.5187 8.44393 4.04036 8.77153 numMergedOcc 0
26 mol 223 unq 1 iso 0 dist 7.57564 7.27963 6.50937 10.6103 12.0329 6.42257 16.5225 13.7841 9.47076 8.6166 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 7.47122 8.57781 3.56689 15.4433 9.75313 8.08349 13.3678 6.46679 5.13732 6.61986 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 6.6537 5.36326 3.56689 4.55824 9.75313 8.08349 7.04127 6.46679 5.13732 6.61986 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 9.08719 5.36326 11.4272 4.55824 6.08709 8.08349 7.04127 7.85135 5.13732 6.61986 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 9.13126 9.67162 4.8226 5.52669 9.10613 8.23087 6.73134 6.0258 4.66414 8.04248 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 5.57184 9.67281 12.4194 7.01206 5.24313 9.12776 13.8075 12.1448 10.3162 7.31233 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 5.57184 9.67281 12.4194 11.2453 16.0821 9.72188 11.7876 16.5687 7.06793 5.72887 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 8.91916 8.40328 10.2743 6.18571 12.2198 5.85442 13.6279 18.5011 10.067 7.46176 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 8.91916 8.40328 10.2743 12.3834 10.0766 6.9899 14.9752 13.3027 7.09907 5.30224 numMergedOcc 0
35 mol 259 unq 2 iso 0 dist 8.91916 8.2518 11.46 11.0067 18.4456 9.46361 16.342 21.2192 12.2293 8.13497 numMergedOcc 0
36 mol 259 unq 3 iso 0 dist 8.91916 8.2518 11.46 11.0067 18.4456 9.46361 13.6279 18.5011 11.6988 7.88519 numMergedOcc 0
37 mol 259 unq 4 iso 0 dist 8.91916 8.2518 11.46 6.18571 12.2198 6.95511 13.6279 18.5011 11.6988 7.46176 numMergedOcc 0
38 mol 259 unq 5 iso 0 dist 4.55368 8.40328 7.06301 6.18571 7.93997 5.85442 13.6279 14.8465 10.067 7.46176 numMergedOcc 0
39 mol 259 unq 6 iso 0 dist 4.55368 8.40328 7.06301 12.3834 9.52383 6.9899 14.9752 12.3218 7.09907 5.30224 numMergedOcc 0
40 mol 259 unq 7 iso 0 dist 4.55368 8.2518 7.80863 11.0067 13.8509 9.46361 16.342 17.4589 12.2293 8.13497 numMergedOcc 0
41 mol 259 unq 8 iso 0 dist 4.55368 8.2518 7.80863 11.0067 13.8509 9.46361 13.6279 14.8465 11.6988 7.88519 numMergedOcc 0
42 mol 259 unq 9 iso 0 dist 4.55368 8.2518 7.80863 6.18571 7.93997 6.95511 13.6279 14.8465 11.6988 7.46176 numMergedOcc 0
