0 mol 7 unq 0 iso 0 dist 7.10621 7.31201 10.789 9.36807 10.515 6.57017 13.156 9.67164 14.144 8.81608 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.10621 9.36807 10.515 7.31201 10.789 6.57017 13.156 9.67164 8.81608 14.144 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 6.33889 11.4878 5.80437 8.69454 8.55451 13.2602 12.6418 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 8.57077 6.33889 11.4878 6.85412 8.27962 5.80437 8.69454 8.55451 12.6418 13.2602 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 8.57077 6.85412 8.27962 6.33889 11.4878 5.80437 5.84314 5.8245 9.71516 9.81658 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 8.57077 6.33889 11.4878 6.85412 8.27962 5.80437 5.84314 5.8245 9.81658 9.71516 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.64012 6.46761 5.24906 7.58407 5.11205 6.44201 4.00553 9.08221 10.1478 10.7327 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 6.64012 7.58407 5.11205 6.46761 5.24906 6.44201 4.00553 9.08221 10.7327 10.1478 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 9.4099 9.73139 5.24906 6.31428 5.11205 6.44201 8.55984 9.08221 10.1478 10.7327 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 9.4099 6.31428 5.11205 9.73139 5.24906 6.44201 8.55984 9.08221 10.7327 10.1478 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.33865 9.66954 6.09023 7.64585 10.2377 12.0796 6.95773 6.24825 10.8109 7.65255 numMergedOcc 0
11 mol 115 unq 0 iso 1 dist 9.33865 7.64585 10.2377 9.66954 6.09023 12.0796 6.95773 6.24825 7.65255 10.8109 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 6.11741 6.99777 10.8292 9.14376 6.12943 11.889 6.07067 6.39384 12.9982 10.7985 numMergedOcc 0
13 mol 115 unq 1 iso 1 dist 6.11741 9.14376 6.12943 6.99777 10.8292 11.889 6.07067 6.39384 10.7985 12.9982 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 7.88312 6.99777 11.7126 9.14376 4.62962 11.889 11.835 7.69765 16.7897 12.0921 numMergedOcc 0
15 mol 115 unq 2 iso 1 dist 7.88312 9.14376 4.62962 6.99777 11.7126 11.889 11.835 7.69765 12.0921 16.7897 numMergedOcc 0
16 mol 115 unq 3 iso 0 dist 7.88312 6.99777 11.7126 9.14376 4.62962 11.889 6.07067 9.42082 12.9982 10.7985 numMergedOcc 0
17 mol 115 unq 3 iso 1 dist 7.88312 9.14376 4.62962 6.99777 11.7126 11.889 6.07067 9.42082 10.7985 12.9982 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 9.87172 9.38288 11.7228 6.19042 6.35763 6.59581 6.20019 6.99446 12.4009 6.13374 numMergedOcc 0
19 mol 119 unq 0 iso 1 dist 9.87172 6.19042 6.35763 9.38288 11.7228 6.59581 6.20019 6.99446 6.13374 12.4009 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 9.87172 9.38288 11.7228 7.44174 7.36192 11.6138 6.20019 6.99446 12.4009 9.08536 numMergedOcc 0
21 mol 119 unq 1 iso 1 dist 9.87172 7.44174 7.36192 9.38288 11.7228 11.6138 6.20019 6.99446 9.08536 12.4009 numMergedOcc 0
22 mol 119 unq 1 iso 0 dist 9.87172 6.19042 6.35763 7.44174 7.36192 8.58342 6.20019 6.99446 6.13374 9.08536 numMergedOcc 0
23 mol 119 unq 1 iso 1 dist 9.87172 7.44174 7.36192 6.19042 6.35763 8.58342 6.20019 6.99446 9.08536 6.13374 numMergedOcc 0
24 mol 119 unq 2 iso 0 dist 6.18601 9.80862 9.35964 8.43904 10.3457 4.84196 4.39676 8.95212 9.56225 6.13374 numMergedOcc 0
25 mol 119 unq 2 iso 1 dist 6.18601 8.43904 10.3457 9.80862 9.35964 4.84196 4.39676 8.95212 6.13374 9.56225 numMergedOcc 0
26 mol 127 unq 0 iso 0 dist 9.30299 8.59981 14.085 7.34519 13.1312 12.7129 12.8087 6.08673 17.7403 17.9198 numMergedOcc 0
27 mol 127 unq 0 iso 1 dist 9.30299 7.34519 13.1312 8.59981 14.085 12.7129 12.8087 6.08673 17.9198 17.7403 numMergedOcc 0
28 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 8.74308 6.76754 6.09983 4.97996 6.93139 10.1252 10.5067 numMergedOcc 0
29 mol 130 unq 0 iso 1 dist 8.70949 8.74308 6.76754 6.89257 8.84655 6.09983 4.97996 6.93139 10.5067 10.1252 numMergedOcc 0
30 mol 155 unq 0 iso 0 dist 6.43582 9.38946 12.8482 7.36102 8.27726 5.68272 4.91785 8.97626 7.29911 5.36254 numMergedOcc 0
31 mol 155 unq 0 iso 1 dist 6.43582 7.36102 8.27726 9.38946 12.8482 5.68272 4.91785 8.97626 5.36254 7.29911 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 6.71012 4.77278 5.3528 12.9532 9.76212 14.5897 12.3788 numMergedOcc 0
33 mol 181 unq 0 iso 1 dist 9.1374 6.71012 4.77278 6.94688 6.25083 5.3528 12.9532 9.76212 12.3788 14.5897 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 7.31233 6.55759 10.4664 7.02475 11.2717 6.44245 11.0772 9.08509 14.4363 10.529 numMergedOcc 0
35 mol 238 unq 0 iso 1 dist 7.31233 7.02475 11.2717 6.55759 10.4664 6.44245 11.0772 9.08509 10.529 14.4363 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 7.31233 6.55759 10.4664 7.67322 12.6986 10.677 11.0772 9.08509 14.4363 9.99105 numMergedOcc 0
37 mol 238 unq 1 iso 1 dist 7.31233 7.67322 12.6986 6.55759 10.4664 10.677 11.0772 9.08509 9.99105 14.4363 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 7.31233 6.55759 10.4664 7.19008 5.17471 12.1411 11.0772 9.08509 14.4363 5.43613 numMergedOcc 0
39 mol 238 unq 2 iso 1 dist 7.31233 7.19008 5.17471 6.55759 10.4664 12.1411 11.0772 9.08509 5.43613 14.4363 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 7.31233 7.02475 11.2717 7.67322 12.6986 5.44694 11.0772 9.08509 10.529 9.99105 numMergedOcc 0
41 mol 238 unq 1 iso 1 dist 7.31233 7.67322 12.6986 7.02475 11.2717 5.44694 11.0772 9.08509 9.99105 10.529 numMergedOcc 0
42 mol 238 unq 2 iso 0 dist 7.31233 7.02475 11.2717 7.19008 5.17471 10.1756 11.0772 9.08509 10.529 5.43613 numMergedOcc 0
43 mol 238 unq 2 iso 1 dist 7.31233 7.19008 5.17471 7.02475 11.2717 10.1756 11.0772 9.08509 5.43613 10.529 numMergedOcc 0
44 mol 238 unq 2 iso 0 dist 7.31233 7.67322 12.6986 7.19008 5.17471 9.50847 11.0772 9.08509 9.99105 5.43613 numMergedOcc 0
45 mol 238 unq 2 iso 1 dist 7.31233 7.19008 5.17471 7.67322 12.6986 9.50847 11.0772 9.08509 5.43613 9.99105 numMergedOcc 0
