0 mol 7 unq 0 iso 0 dist 6.36911 13.2247 9.36807 10.2446 7.45262 5.44992 5.03847 9.97624 13.8829 10.1959 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.36807 13.2247 6.36911 5.44992 7.45262 10.2446 13.8829 9.97624 5.03847 10.1959 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.36911 13.2247 9.36807 12.3097 6.96586 4.74523 5.03847 9.97624 13.8829 13.9514 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 9.36807 13.2247 6.36911 4.74523 6.96586 12.3097 13.8829 9.97624 5.03847 13.9514 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 6.99408 6.11102 9.3403 6.18811 7.95778 6.67086 8.26635 7.21995 5.05051 6.19841 numMergedOcc 0
5 mol 45 unq 0 iso 1 dist 9.3403 6.11102 6.99408 6.67086 7.95778 6.18811 5.05051 7.21995 8.26635 6.19841 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 6.99408 6.11102 9.3403 6.18811 7.95778 6.67086 13.4503 9.62637 10.6148 10.493 numMergedOcc 0
7 mol 45 unq 1 iso 1 dist 9.3403 6.11102 6.99408 6.67086 7.95778 6.18811 10.6148 9.62637 13.4503 10.493 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 8.63333 5.35073 8.89374 6.89191 7.93481 11.0355 10.2049 9.11258 5.49591 13.9844 numMergedOcc 0
9 mol 58 unq 0 iso 1 dist 8.89374 5.35073 8.63333 11.0355 7.93481 6.89191 5.49591 9.11258 10.2049 13.9844 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 8.63333 10.8153 6.46761 6.89191 7.93481 11.3547 10.2049 9.11258 5.85698 13.9844 numMergedOcc 0
11 mol 58 unq 1 iso 1 dist 6.46761 10.8153 8.63333 11.3547 7.93481 6.89191 5.85698 9.11258 10.2049 13.9844 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 8.63333 14.5953 9.73139 6.89191 7.93481 11.9834 10.2049 9.11258 12.2123 13.9844 numMergedOcc 0
13 mol 58 unq 2 iso 1 dist 9.73139 14.5953 8.63333 11.9834 7.93481 6.89191 12.2123 9.11258 10.2049 13.9844 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 8.89374 8.62958 6.46761 11.0355 7.93481 11.3547 5.49591 9.11258 5.85698 13.9844 numMergedOcc 0
15 mol 58 unq 1 iso 1 dist 6.46761 8.62958 8.89374 11.3547 7.93481 11.0355 5.85698 9.11258 5.49591 13.9844 numMergedOcc 0
16 mol 58 unq 2 iso 0 dist 8.89374 14.176 9.73139 11.0355 7.93481 11.9834 5.49591 9.11258 12.2123 13.9844 numMergedOcc 0
17 mol 58 unq 2 iso 1 dist 9.73139 14.176 8.89374 11.9834 7.93481 11.0355 12.2123 9.11258 5.49591 13.9844 numMergedOcc 0
18 mol 58 unq 2 iso 0 dist 6.46761 6.47414 9.73139 11.3547 7.93481 11.9834 5.85698 9.11258 12.2123 13.9844 numMergedOcc 0
19 mol 58 unq 2 iso 1 dist 9.73139 6.47414 6.46761 11.9834 7.93481 11.3547 12.2123 9.11258 5.85698 13.9844 numMergedOcc 0
20 mol 90 unq 0 iso 0 dist 8.39016 7.60026 6.99355 8.89062 7.54496 10.1287 9.60325 9.56752 7.25602 6.44963 numMergedOcc 0
21 mol 90 unq 0 iso 1 dist 6.99355 7.60026 8.39016 10.1287 7.54496 8.89062 7.25602 9.56752 9.60325 6.44963 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 5.81965 5.02055 7.06013 5.7134 9.28578 4.24513 8.55834 7.1539 8.51055 7.75408 numMergedOcc 0
23 mol 92 unq 0 iso 1 dist 7.06013 5.02055 5.81965 4.24513 9.28578 5.7134 8.51055 7.1539 8.55834 7.75408 numMergedOcc 0
24 mol 92 unq 1 iso 0 dist 5.81965 5.02055 7.06013 5.7134 9.28578 4.24513 9.50382 5.39745 11.3858 12.1199 numMergedOcc 0
25 mol 92 unq 1 iso 1 dist 7.06013 5.02055 5.81965 4.24513 9.28578 5.7134 11.3858 5.39745 9.50382 12.1199 numMergedOcc 0
26 mol 92 unq 2 iso 0 dist 5.81965 8.95922 9.70512 5.7134 9.28578 10.7874 8.55834 7.1539 7.76866 7.75408 numMergedOcc 0
27 mol 92 unq 2 iso 1 dist 9.70512 8.95922 5.81965 10.7874 9.28578 5.7134 7.76866 7.1539 8.55834 7.75408 numMergedOcc 0
28 mol 92 unq 3 iso 0 dist 5.81965 8.95922 9.70512 5.7134 9.28578 10.7874 9.50382 5.39745 7.56363 12.1199 numMergedOcc 0
29 mol 92 unq 3 iso 1 dist 9.70512 8.95922 5.81965 10.7874 9.28578 5.7134 7.56363 5.39745 9.50382 12.1199 numMergedOcc 0
30 mol 92 unq 2 iso 0 dist 7.06013 12.4494 9.70512 4.24513 9.28578 10.7874 8.51055 7.1539 7.76866 7.75408 numMergedOcc 0
31 mol 92 unq 2 iso 1 dist 9.70512 12.4494 7.06013 10.7874 9.28578 4.24513 7.76866 7.1539 8.51055 7.75408 numMergedOcc 0
32 mol 92 unq 3 iso 0 dist 7.06013 12.4494 9.70512 4.24513 9.28578 10.7874 11.3858 5.39745 7.56363 12.1199 numMergedOcc 0
33 mol 92 unq 3 iso 1 dist 9.70512 12.4494 7.06013 10.7874 9.28578 4.24513 7.56363 5.39745 11.3858 12.1199 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 7.39889 11.6667 9.63176 4.91594 9.05798 12.7179 5.92984 7.26955 15.5019 7.34151 numMergedOcc 0
35 mol 119 unq 0 iso 1 dist 9.63176 11.6667 7.39889 12.7179 9.05798 4.91594 15.5019 7.26955 5.92984 7.34151 numMergedOcc 0
36 mol 119 unq 1 iso 0 dist 7.39889 11.6667 9.63176 9.3046 5.85818 4.91132 5.92984 7.26955 15.5019 11.7884 numMergedOcc 0
37 mol 119 unq 1 iso 1 dist 9.63176 11.6667 7.39889 4.91132 5.85818 9.3046 15.5019 7.26955 5.92984 11.7884 numMergedOcc 0
38 mol 119 unq 2 iso 0 dist 7.39889 11.3169 7.44174 4.91594 9.05798 9.15779 5.92984 7.26955 10.314 7.34151 numMergedOcc 0
39 mol 119 unq 2 iso 1 dist 7.44174 11.3169 7.39889 9.15779 9.05798 4.91594 10.314 7.26955 5.92984 7.34151 numMergedOcc 0
40 mol 119 unq 3 iso 0 dist 7.39889 11.3169 7.44174 9.3046 5.85818 7.61939 5.92984 7.26955 10.314 11.7884 numMergedOcc 0
41 mol 119 unq 3 iso 1 dist 7.44174 11.3169 7.39889 7.61939 5.85818 9.3046 10.314 7.26955 5.92984 11.7884 numMergedOcc 0
42 mol 119 unq 2 iso 0 dist 9.63176 12.4603 7.44174 12.7179 9.05798 9.15779 15.5019 7.26955 10.314 7.34151 numMergedOcc 0
43 mol 119 unq 2 iso 1 dist 7.44174 12.4603 9.63176 9.15779 9.05798 12.7179 10.314 7.26955 15.5019 7.34151 numMergedOcc 0
44 mol 119 unq 3 iso 0 dist 9.63176 12.4603 7.44174 4.91132 5.85818 7.61939 15.5019 7.26955 10.314 11.7884 numMergedOcc 0
45 mol 119 unq 3 iso 1 dist 7.44174 12.4603 9.63176 7.61939 5.85818 4.91132 10.314 7.26955 15.5019 11.7884 numMergedOcc 0
46 mol 143 unq 0 iso 0 dist 7.31468 5.72828 7.7056 6.41287 8.1582 11.488 10.0059 6.46089 8.57817 11.5146 numMergedOcc 0
47 mol 143 unq 0 iso 1 dist 7.7056 5.72828 7.31468 11.488 8.1582 6.41287 8.57817 6.46089 10.0059 11.5146 numMergedOcc 0
48 mol 143 unq 1 iso 0 dist 7.31468 5.72828 7.7056 7.11704 7.88655 9.53139 10.0059 6.46089 8.57817 6.60479 numMergedOcc 0
49 mol 143 unq 1 iso 1 dist 7.7056 5.72828 7.31468 9.53139 7.88655 7.11704 8.57817 6.46089 10.0059 6.60479 numMergedOcc 0
50 mol 173 unq 0 iso 0 dist 7.93331 4.83994 6.98095 6.65184 7.54706 4.68119 6.14414 8.41245 5.27321 9.77146 numMergedOcc 0
51 mol 173 unq 0 iso 1 dist 6.98095 4.83994 7.93331 4.68119 7.54706 6.65184 5.27321 8.41245 6.14414 9.77146 numMergedOcc 0
52 mol 173 unq 1 iso 0 dist 7.93331 4.83994 6.98095 6.65184 7.54706 4.68119 4.72839 6.64779 8.07089 9.43677 numMergedOcc 0
53 mol 173 unq 1 iso 1 dist 6.98095 4.83994 7.93331 4.68119 7.54706 6.65184 8.07089 6.64779 4.72839 9.43677 numMergedOcc 0
54 mol 173 unq 2 iso 0 dist 7.93331 5.16343 8.31897 6.65184 7.54706 6.6407 6.14414 8.41245 10.8609 9.77146 numMergedOcc 0
55 mol 173 unq 2 iso 1 dist 8.31897 5.16343 7.93331 6.6407 7.54706 6.65184 10.8609 8.41245 6.14414 9.77146 numMergedOcc 0
56 mol 173 unq 3 iso 0 dist 7.93331 5.16343 8.31897 6.65184 7.54706 6.6407 4.72839 6.64779 5.70743 9.43677 numMergedOcc 0
57 mol 173 unq 3 iso 1 dist 8.31897 5.16343 7.93331 6.6407 7.54706 6.65184 5.70743 6.64779 4.72839 9.43677 numMergedOcc 0
58 mol 173 unq 2 iso 0 dist 6.98095 8.17887 8.31897 4.68119 7.54706 6.6407 5.27321 8.41245 10.8609 9.77146 numMergedOcc 0
59 mol 173 unq 2 iso 1 dist 8.31897 8.17887 6.98095 6.6407 7.54706 4.68119 10.8609 8.41245 5.27321 9.77146 numMergedOcc 0
60 mol 173 unq 3 iso 0 dist 6.98095 8.17887 8.31897 4.68119 7.54706 6.6407 8.07089 6.64779 5.70743 9.43677 numMergedOcc 0
61 mol 173 unq 3 iso 1 dist 8.31897 8.17887 6.98095 6.6407 7.54706 4.68119 5.70743 6.64779 8.07089 9.43677 numMergedOcc 0
62 mol 227 unq 0 iso 0 dist 8.17891 5.22356 6.95902 10.5813 7.1372 7.22396 10.9607 7.57454 9.72615 4.59123 numMergedOcc 0
63 mol 227 unq 0 iso 1 dist 6.95902 5.22356 8.17891 7.22396 7.1372 10.5813 9.72615 7.57454 10.9607 4.59123 numMergedOcc 0
64 mol 235 unq 0 iso 0 dist 9.58736 9.85037 9.43058 15.0089 9.31673 11.1908 15.6327 7.31773 10.632 5.92143 numMergedOcc 0
65 mol 235 unq 0 iso 1 dist 9.43058 9.85037 9.58736 11.1908 9.31673 15.0089 10.632 7.31773 15.6327 5.92143 numMergedOcc 0
66 mol 235 unq 1 iso 0 dist 9.58736 13.6669 8.75735 15.0089 9.31673 7.87789 15.6327 7.31773 6.01041 5.92143 numMergedOcc 0
67 mol 235 unq 1 iso 1 dist 8.75735 13.6669 9.58736 7.87789 9.31673 15.0089 6.01041 7.31773 15.6327 5.92143 numMergedOcc 0
68 mol 235 unq 2 iso 0 dist 9.58736 16.4493 6.98084 15.0089 9.31673 11.5211 15.6327 7.31773 6.82855 5.92143 numMergedOcc 0
69 mol 235 unq 2 iso 1 dist 6.98084 16.4493 9.58736 11.5211 9.31673 15.0089 6.82855 7.31773 15.6327 5.92143 numMergedOcc 0
70 mol 235 unq 3 iso 0 dist 9.58736 15.4 7.32211 15.0089 9.31673 6.65703 15.6327 7.31773 6.46722 5.92143 numMergedOcc 0
71 mol 235 unq 3 iso 1 dist 7.32211 15.4 9.58736 6.65703 9.31673 15.0089 6.46722 7.31773 15.6327 5.92143 numMergedOcc 0
72 mol 235 unq 1 iso 0 dist 9.43058 5.52217 8.75735 11.1908 9.31673 7.87789 10.632 7.31773 6.01041 5.92143 numMergedOcc 0
73 mol 235 unq 1 iso 1 dist 8.75735 5.52217 9.43058 7.87789 9.31673 11.1908 6.01041 7.31773 10.632 5.92143 numMergedOcc 0
74 mol 235 unq 2 iso 0 dist 9.43058 14.4362 6.98084 11.1908 9.31673 11.5211 10.632 7.31773 6.82855 5.92143 numMergedOcc 0
75 mol 235 unq 2 iso 1 dist 6.98084 14.4362 9.43058 11.5211 9.31673 11.1908 6.82855 7.31773 10.632 5.92143 numMergedOcc 0
76 mol 235 unq 3 iso 0 dist 9.43058 14.4107 7.32211 11.1908 9.31673 6.65703 10.632 7.31773 6.46722 5.92143 numMergedOcc 0
77 mol 235 unq 3 iso 1 dist 7.32211 14.4107 9.43058 6.65703 9.31673 11.1908 6.46722 7.31773 10.632 5.92143 numMergedOcc 0
78 mol 235 unq 2 iso 0 dist 8.75735 11.3519 6.98084 7.87789 9.31673 11.5211 6.01041 7.31773 6.82855 5.92143 numMergedOcc 0
79 mol 235 unq 2 iso 1 dist 6.98084 11.3519 8.75735 11.5211 9.31673 7.87789 6.82855 7.31773 6.01041 5.92143 numMergedOcc 0
80 mol 235 unq 3 iso 0 dist 8.75735 11.3789 7.32211 7.87789 9.31673 6.65703 6.01041 7.31773 6.46722 5.92143 numMergedOcc 0
81 mol 235 unq 3 iso 1 dist 7.32211 11.3789 8.75735 6.65703 9.31673 7.87789 6.46722 7.31773 6.01041 5.92143 numMergedOcc 0
82 mol 235 unq 3 iso 0 dist 6.98084 7.218 7.32211 11.5211 9.31673 6.65703 6.82855 7.31773 6.46722 5.92143 numMergedOcc 0
83 mol 235 unq 3 iso 1 dist 7.32211 7.218 6.98084 6.65703 9.31673 11.5211 6.46722 7.31773 6.82855 5.92143 numMergedOcc 0
84 mol 259 unq 0 iso 0 dist 7.48005 12.5353 8.37865 5.60748 6.39918 7.31951 8.81835 8.71497 8.75685 6.31909 numMergedOcc 0
85 mol 259 unq 0 iso 1 dist 8.37865 12.5353 7.48005 7.31951 6.39918 5.60748 8.75685 8.71497 8.81835 6.31909 numMergedOcc 0
