0 mol 9 unq 0 iso 0 dist 6.85412 5.60154 9.29529 5.84314 9.71516 3.91075 8.57077 8.27962 8.47421 5.8245 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.33889 5.60154 7.2199 5.84314 9.81658 3.91075 8.57077 11.4878 8.47421 5.8245 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 9.20119 5.67689 8.59109 12.466 5.81001 11.9463 11.2563 9.01651 7.06308 13.6385 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 9.20119 5.67689 8.59109 12.466 5.81001 11.9463 7.58835 6.89191 6.34173 12.457 numMergedOcc 0
4 mol 45 unq 2 iso 0 dist 9.20119 5.67689 8.59109 12.466 5.81001 11.9463 11.5838 5.54436 9.43442 10.7109 numMergedOcc 0
5 mol 45 unq 3 iso 0 dist 9.20119 16.2375 8.13782 12.466 5.81001 4.51883 15.0348 7.39653 6.99408 5.94756 numMergedOcc 0
6 mol 45 unq 4 iso 0 dist 9.20119 16.2375 8.13782 12.466 5.81001 4.51883 19.2693 10.6095 9.3403 10.7728 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 9.33535 6.78077 8.80108 7.00806 7.60018 10.7257 10.1508 4.55117 6.40841 9.97819 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 9.33535 6.78077 8.80108 7.00806 7.60018 10.7257 13.9483 14.7581 7.58407 18.2125 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 9.33535 6.78077 8.80108 7.00806 7.60018 10.7257 12.7357 10.3782 6.31428 14.4477 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 9.33535 6.78077 8.80108 9.53718 7.03126 11.0945 10.1508 4.55117 6.40841 8.69057 numMergedOcc 0
11 mol 58 unq 4 iso 0 dist 9.33535 6.78077 8.80108 9.53718 7.03126 11.0945 13.9483 14.7581 7.58407 18.0198 numMergedOcc 0
12 mol 58 unq 5 iso 0 dist 9.33535 6.78077 8.80108 9.53718 7.03126 11.0945 12.7357 10.3782 6.31428 13.1897 numMergedOcc 0
13 mol 58 unq 6 iso 0 dist 8.26899 6.75888 8.80108 6.20618 7.60018 10.7257 7.32874 4.55117 6.40841 9.97819 numMergedOcc 0
14 mol 58 unq 7 iso 0 dist 8.26899 6.75888 8.80108 6.20618 7.60018 10.7257 13.4544 14.7581 7.58407 18.2125 numMergedOcc 0
15 mol 58 unq 8 iso 0 dist 8.26899 6.75888 8.80108 6.20618 7.60018 10.7257 9.55426 10.3782 6.31428 14.4477 numMergedOcc 0
16 mol 58 unq 9 iso 0 dist 8.26899 6.75888 8.80108 5.61579 7.03126 11.0945 7.32874 4.55117 6.40841 8.69057 numMergedOcc 0
17 mol 58 unq 10 iso 0 dist 8.26899 6.75888 8.80108 5.61579 7.03126 11.0945 13.4544 14.7581 7.58407 18.0198 numMergedOcc 0
18 mol 58 unq 11 iso 0 dist 8.26899 6.75888 8.80108 5.61579 7.03126 11.0945 9.55426 10.3782 6.31428 13.1897 numMergedOcc 0
19 mol 72 unq 0 iso 0 dist 8.624 6.00418 9.19459 5.72408 9.37102 5.11318 10.8086 7.11552 7.321 10.7102 numMergedOcc 0
20 mol 72 unq 1 iso 0 dist 8.624 6.00418 9.19459 3.94376 5.4605 6.74416 10.8086 7.11552 7.321 9.55118 numMergedOcc 0
21 mol 72 unq 2 iso 0 dist 8.624 6.00418 9.19459 6.19288 6.53824 10.7904 10.8086 7.11552 7.321 12.111 numMergedOcc 0
22 mol 72 unq 3 iso 0 dist 6.77912 9.0131 9.19459 10.0679 9.37102 5.11318 9.96708 7.11552 7.321 10.7102 numMergedOcc 0
23 mol 72 unq 4 iso 0 dist 6.77912 9.0131 9.19459 5.69391 5.4605 6.74416 9.96708 7.11552 7.321 9.55118 numMergedOcc 0
24 mol 72 unq 5 iso 0 dist 6.77912 9.0131 9.19459 4.03844 6.53824 10.7904 9.96708 7.11552 7.321 12.111 numMergedOcc 0
25 mol 72 unq 6 iso 0 dist 7.321 7.11552 9.19459 7.47371 9.14817 9.88768 10.8086 6.00418 8.624 9.74228 numMergedOcc 0
26 mol 72 unq 7 iso 0 dist 7.321 7.11552 9.19459 7.47371 9.14817 9.88768 9.96708 9.0131 6.77912 7.12321 numMergedOcc 0
27 mol 72 unq 8 iso 0 dist 7.321 7.11552 9.19459 9.67587 9.76686 12.9007 10.8086 6.00418 8.624 10.7906 numMergedOcc 0
28 mol 72 unq 9 iso 0 dist 7.321 7.11552 9.19459 9.67587 9.76686 12.9007 9.96708 9.0131 6.77912 9.35457 numMergedOcc 0
29 mol 72 unq 10 iso 0 dist 7.321 7.11552 9.19459 7.07356 9.437 12.9235 10.8086 6.00418 8.624 12.952 numMergedOcc 0
30 mol 72 unq 11 iso 0 dist 7.321 7.11552 9.19459 7.07356 9.437 12.9235 9.96708 9.0131 6.77912 12.1131 numMergedOcc 0
31 mol 115 unq 0 iso 0 dist 7.76729 10.2377 6.40036 6.63111 8.0168 5.65471 9.33865 10.7942 7.64585 6.39384 numMergedOcc 0
32 mol 115 unq 1 iso 0 dist 7.64585 10.7942 6.40036 6.95773 7.65255 5.78043 9.33865 10.2377 7.76729 6.24825 numMergedOcc 0
33 mol 155 unq 0 iso 0 dist 7.39644 5.40375 7.37901 7.10286 5.36254 4.48516 13.5605 13.5062 9.86313 12.9034 numMergedOcc 0
34 mol 155 unq 1 iso 0 dist 7.39644 5.40375 7.37901 7.10286 5.36254 4.48516 10.7829 8.27726 7.51198 8.97626 numMergedOcc 0
35 mol 155 unq 2 iso 0 dist 7.36102 6.34186 7.37901 4.91785 5.36254 4.48516 10.2463 13.5062 9.86313 12.9034 numMergedOcc 0
36 mol 155 unq 3 iso 0 dist 7.36102 6.34186 7.37901 4.91785 5.36254 4.48516 6.43582 8.27726 7.51198 8.97626 numMergedOcc 0
37 mol 175 unq 0 iso 0 dist 9.31887 8.22779 4.79852 5.00913 9.76114 9.433 9.0018 11.0415 9.8589 13.6764 numMergedOcc 0
38 mol 175 unq 1 iso 0 dist 9.31887 8.22779 4.79852 5.00913 9.76114 9.433 7.652 5.0384 7.24908 10.1305 numMergedOcc 0
39 mol 213 unq 0 iso 0 dist 8.45368 11.1059 8.74171 4.72944 5.461 7.09198 16.7686 11.1063 6.68292 12.3088 numMergedOcc 0
40 mol 213 unq 1 iso 0 dist 9.59129 12.2579 8.74171 10.1881 5.461 7.09198 12.9274 11.1063 6.68292 12.3088 numMergedOcc 0
41 mol 218 unq 0 iso 0 dist 7.17547 10.2673 6.75035 15.6802 8.61306 10.1772 10.9501 7.47048 8.53199 9.24601 numMergedOcc 0
42 mol 218 unq 1 iso 0 dist 7.13323 6.60235 6.75035 13.7327 8.61306 10.1772 12.8943 7.47048 8.53199 9.24601 numMergedOcc 0
43 mol 234 unq 0 iso 0 dist 9.5707 5.56749 8.49841 3.95629 8.27411 6.00588 10.3625 5.9221 6.16063 8.84746 numMergedOcc 0
44 mol 234 unq 1 iso 0 dist 9.5707 5.56749 8.49841 15.9732 6.96257 14.8966 10.3625 5.9221 6.16063 11.1846 numMergedOcc 0
45 mol 234 unq 2 iso 0 dist 6.16063 5.9221 8.49841 13.1872 9.11572 11.8229 10.3625 5.56749 9.5707 7.81215 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 9.19234 14.168 8.49866 8.87855 6.66172 5.70568 10.7806 5.31116 6.50589 6.4611 numMergedOcc 0
