0 mol 7 unq 0 iso 0 dist 6.36911 13.2247 9.36807 10.2446 7.45262 5.44992 6.88805 8.81608 13.156 8.0744 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.36807 13.2247 6.36911 5.44992 7.45262 10.2446 13.156 8.81608 6.88805 8.0744 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.36911 13.2247 9.36807 12.3097 6.96586 4.74523 6.88805 8.81608 13.156 11.7002 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 9.36807 13.2247 6.36911 4.74523 6.96586 12.3097 13.156 8.81608 6.88805 11.7002 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.82012 13.2136 9.16962 15.2834 9.25649 17.7956 5.56139 5.84066 8.25132 14.3725 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 9.16962 13.2136 8.82012 17.7956 9.25649 15.2834 8.25132 5.84066 5.56139 14.3725 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 8.82012 13.2136 9.16962 14.0729 9.36104 15.23 5.56139 5.84066 8.25132 11.3426 numMergedOcc 0
7 mol 26 unq 1 iso 1 dist 9.16962 13.2136 8.82012 15.23 9.36104 14.0729 8.25132 5.84066 5.56139 11.3426 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 7.39889 11.6667 9.63176 4.91594 9.05798 12.7179 6.30721 6.55202 6.9194 9.75037 numMergedOcc 0
9 mol 119 unq 0 iso 1 dist 9.63176 11.6667 7.39889 12.7179 9.05798 4.91594 6.9194 6.55202 6.30721 9.75037 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 7.39889 11.6667 9.63176 4.91594 9.05798 12.7179 14.443 9.08536 9.68677 13.2984 numMergedOcc 0
11 mol 119 unq 1 iso 1 dist 9.63176 11.6667 7.39889 12.7179 9.05798 4.91594 9.68677 9.08536 14.443 13.2984 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 7.39889 11.6667 9.63176 9.3046 5.85818 4.91132 6.30721 6.55202 6.9194 6.71103 numMergedOcc 0
13 mol 119 unq 2 iso 1 dist 9.63176 11.6667 7.39889 4.91132 5.85818 9.3046 6.9194 6.55202 6.30721 6.71103 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 7.39889 11.6667 9.63176 9.3046 5.85818 4.91132 14.443 9.08536 9.68677 6.29394 numMergedOcc 0
15 mol 119 unq 3 iso 1 dist 9.63176 11.6667 7.39889 4.91132 5.85818 9.3046 9.68677 9.08536 14.443 6.29394 numMergedOcc 0
16 mol 119 unq 4 iso 0 dist 7.39889 11.3169 7.44174 4.91594 9.05798 9.15779 6.30721 6.55202 12.4621 9.75037 numMergedOcc 0
17 mol 119 unq 4 iso 1 dist 7.44174 11.3169 7.39889 9.15779 9.05798 4.91594 12.4621 6.55202 6.30721 9.75037 numMergedOcc 0
18 mol 119 unq 5 iso 0 dist 7.39889 11.3169 7.44174 4.91594 9.05798 9.15779 14.443 9.08536 6.20019 13.2984 numMergedOcc 0
19 mol 119 unq 5 iso 1 dist 7.44174 11.3169 7.39889 9.15779 9.05798 4.91594 6.20019 9.08536 14.443 13.2984 numMergedOcc 0
20 mol 119 unq 6 iso 0 dist 7.39889 11.3169 7.44174 9.3046 5.85818 7.61939 6.30721 6.55202 12.4621 6.71103 numMergedOcc 0
21 mol 119 unq 6 iso 1 dist 7.44174 11.3169 7.39889 7.61939 5.85818 9.3046 12.4621 6.55202 6.30721 6.71103 numMergedOcc 0
22 mol 119 unq 7 iso 0 dist 7.39889 11.3169 7.44174 9.3046 5.85818 7.61939 14.443 9.08536 6.20019 6.29394 numMergedOcc 0
23 mol 119 unq 7 iso 1 dist 7.44174 11.3169 7.39889 7.61939 5.85818 9.3046 6.20019 9.08536 14.443 6.29394 numMergedOcc 0
24 mol 119 unq 4 iso 0 dist 9.63176 12.4603 7.44174 12.7179 9.05798 9.15779 6.9194 6.55202 12.4621 9.75037 numMergedOcc 0
25 mol 119 unq 4 iso 1 dist 7.44174 12.4603 9.63176 9.15779 9.05798 12.7179 12.4621 6.55202 6.9194 9.75037 numMergedOcc 0
26 mol 119 unq 5 iso 0 dist 9.63176 12.4603 7.44174 12.7179 9.05798 9.15779 9.68677 9.08536 6.20019 13.2984 numMergedOcc 0
27 mol 119 unq 5 iso 1 dist 7.44174 12.4603 9.63176 9.15779 9.05798 12.7179 6.20019 9.08536 9.68677 13.2984 numMergedOcc 0
28 mol 119 unq 6 iso 0 dist 9.63176 12.4603 7.44174 4.91132 5.85818 7.61939 6.9194 6.55202 12.4621 6.71103 numMergedOcc 0
29 mol 119 unq 6 iso 1 dist 7.44174 12.4603 9.63176 7.61939 5.85818 4.91132 12.4621 6.55202 6.9194 6.71103 numMergedOcc 0
30 mol 119 unq 7 iso 0 dist 9.63176 12.4603 7.44174 4.91132 5.85818 7.61939 9.68677 9.08536 6.20019 6.29394 numMergedOcc 0
31 mol 119 unq 7 iso 1 dist 7.44174 12.4603 9.63176 7.61939 5.85818 4.91132 6.20019 9.08536 9.68677 6.29394 numMergedOcc 0
32 mol 119 unq 8 iso 0 dist 6.19042 9.22558 8.43904 7.61939 9.87025 10.326 6.20019 6.13374 4.39676 6.29394 numMergedOcc 0
33 mol 119 unq 8 iso 1 dist 8.43904 9.22558 6.19042 10.326 9.87025 7.61939 4.39676 6.13374 6.20019 6.29394 numMergedOcc 0
34 mol 130 unq 0 iso 0 dist 6.79146 7.01619 7.66168 7.55374 6.42785 11.576 4.66904 8.9677 11.1455 5.77497 numMergedOcc 0
35 mol 130 unq 0 iso 1 dist 7.66168 7.01619 6.79146 11.576 6.42785 7.55374 11.1455 8.9677 4.66904 5.77497 numMergedOcc 0
36 mol 130 unq 1 iso 0 dist 6.79146 7.01619 7.66168 9.44878 6.82089 4.28797 4.66904 8.9677 11.1455 12.7192 numMergedOcc 0
37 mol 130 unq 1 iso 1 dist 7.66168 7.01619 6.79146 4.28797 6.82089 9.44878 11.1455 8.9677 4.66904 12.7192 numMergedOcc 0
38 mol 130 unq 2 iso 0 dist 6.79146 6.83397 6.89257 7.55374 6.42785 5.97111 4.66904 8.9677 7.52422 5.77497 numMergedOcc 0
39 mol 130 unq 2 iso 1 dist 6.89257 6.83397 6.79146 5.97111 6.42785 7.55374 7.52422 8.9677 4.66904 5.77497 numMergedOcc 0
40 mol 130 unq 3 iso 0 dist 6.79146 6.83397 6.89257 9.44878 6.82089 6.97875 4.66904 8.9677 7.52422 12.7192 numMergedOcc 0
41 mol 130 unq 3 iso 1 dist 6.89257 6.83397 6.79146 6.97875 6.82089 9.44878 7.52422 8.9677 4.66904 12.7192 numMergedOcc 0
42 mol 130 unq 2 iso 0 dist 7.66168 7.50049 6.89257 11.576 6.42785 5.97111 11.1455 8.9677 7.52422 5.77497 numMergedOcc 0
43 mol 130 unq 2 iso 1 dist 6.89257 7.50049 7.66168 5.97111 6.42785 11.576 7.52422 8.9677 11.1455 5.77497 numMergedOcc 0
44 mol 130 unq 3 iso 0 dist 7.66168 7.50049 6.89257 4.28797 6.82089 6.97875 11.1455 8.9677 7.52422 12.7192 numMergedOcc 0
45 mol 130 unq 3 iso 1 dist 6.89257 7.50049 7.66168 6.97875 6.82089 4.28797 7.52422 8.9677 11.1455 12.7192 numMergedOcc 0
46 mol 143 unq 0 iso 0 dist 7.31468 5.72828 7.7056 6.41287 8.1582 11.488 7.63293 7.05845 11.903 3.75378 numMergedOcc 0
47 mol 143 unq 0 iso 1 dist 7.7056 5.72828 7.31468 11.488 8.1582 6.41287 11.903 7.05845 7.63293 3.75378 numMergedOcc 0
48 mol 143 unq 1 iso 0 dist 7.31468 5.72828 7.7056 7.11704 7.88655 9.53139 7.63293 7.05845 11.903 9.30534 numMergedOcc 0
49 mol 143 unq 1 iso 1 dist 7.7056 5.72828 7.31468 9.53139 7.88655 7.11704 11.903 7.05845 7.63293 9.30534 numMergedOcc 0
50 mol 173 unq 0 iso 0 dist 7.93331 4.83994 6.98095 6.65184 7.54706 4.68119 12.4131 8.62366 12.5815 9.35572 numMergedOcc 0
51 mol 173 unq 0 iso 1 dist 6.98095 4.83994 7.93331 4.68119 7.54706 6.65184 12.5815 8.62366 12.4131 9.35572 numMergedOcc 0
52 mol 173 unq 1 iso 0 dist 7.93331 4.83994 6.98095 6.65184 7.54706 4.68119 8.85462 9.44973 9.65654 5.74438 numMergedOcc 0
53 mol 173 unq 1 iso 1 dist 6.98095 4.83994 7.93331 4.68119 7.54706 6.65184 9.65654 9.44973 8.85462 5.74438 numMergedOcc 0
54 mol 173 unq 2 iso 0 dist 7.93331 4.83994 6.98095 6.65184 7.54706 4.68119 6.91529 6.52508 9.44845 8.43374 numMergedOcc 0
55 mol 173 unq 2 iso 1 dist 6.98095 4.83994 7.93331 4.68119 7.54706 6.65184 9.44845 6.52508 6.91529 8.43374 numMergedOcc 0
56 mol 173 unq 3 iso 0 dist 7.93331 5.16343 8.31897 6.65184 7.54706 6.6407 12.4131 8.62366 8.63452 9.35572 numMergedOcc 0
57 mol 173 unq 3 iso 1 dist 8.31897 5.16343 7.93331 6.6407 7.54706 6.65184 8.63452 8.62366 12.4131 9.35572 numMergedOcc 0
58 mol 173 unq 4 iso 0 dist 7.93331 5.16343 8.31897 6.65184 7.54706 6.6407 8.85462 9.44973 4.83786 5.74438 numMergedOcc 0
59 mol 173 unq 4 iso 1 dist 8.31897 5.16343 7.93331 6.6407 7.54706 6.65184 4.83786 9.44973 8.85462 5.74438 numMergedOcc 0
60 mol 173 unq 5 iso 0 dist 7.93331 5.16343 8.31897 6.65184 7.54706 6.6407 6.91529 6.52508 3.74688 8.43374 numMergedOcc 0
61 mol 173 unq 5 iso 1 dist 8.31897 5.16343 7.93331 6.6407 7.54706 6.65184 3.74688 6.52508 6.91529 8.43374 numMergedOcc 0
62 mol 173 unq 3 iso 0 dist 6.98095 8.17887 8.31897 4.68119 7.54706 6.6407 12.5815 8.62366 8.63452 9.35572 numMergedOcc 0
63 mol 173 unq 3 iso 1 dist 8.31897 8.17887 6.98095 6.6407 7.54706 4.68119 8.63452 8.62366 12.5815 9.35572 numMergedOcc 0
64 mol 173 unq 4 iso 0 dist 6.98095 8.17887 8.31897 4.68119 7.54706 6.6407 9.65654 9.44973 4.83786 5.74438 numMergedOcc 0
65 mol 173 unq 4 iso 1 dist 8.31897 8.17887 6.98095 6.6407 7.54706 4.68119 4.83786 9.44973 9.65654 5.74438 numMergedOcc 0
66 mol 173 unq 5 iso 0 dist 6.98095 8.17887 8.31897 4.68119 7.54706 6.6407 9.44845 6.52508 3.74688 8.43374 numMergedOcc 0
67 mol 173 unq 5 iso 1 dist 8.31897 8.17887 6.98095 6.6407 7.54706 4.68119 3.74688 6.52508 9.44845 8.43374 numMergedOcc 0
68 mol 184 unq 0 iso 0 dist 9.52936 5.43299 9.15417 8.41716 6.21206 5.72305 13.8904 7.59939 10.3179 6.19242 numMergedOcc 0
69 mol 184 unq 0 iso 1 dist 9.15417 5.43299 9.52936 5.72305 6.21206 8.41716 10.3179 7.59939 13.8904 6.19242 numMergedOcc 0
70 mol 214 unq 0 iso 0 dist 7.46831 10.3105 8.60247 5.63388 5.10114 6.214 11.1534 8.70987 7.19184 5.73082 numMergedOcc 0
71 mol 214 unq 0 iso 1 dist 8.60247 10.3105 7.46831 6.214 5.10114 5.63388 7.19184 8.70987 11.1534 5.73082 numMergedOcc 0
72 mol 218 unq 0 iso 0 dist 7.17547 7.83217 7.13323 10.3246 9.67381 9.8301 15.6802 8.61306 13.7327 13.7733 numMergedOcc 0
73 mol 218 unq 0 iso 1 dist 7.13323 7.83217 7.17547 9.8301 9.67381 10.3246 13.7327 8.61306 15.6802 13.7733 numMergedOcc 0
74 mol 218 unq 1 iso 0 dist 7.17547 7.83217 7.13323 5.7776 6.61099 9.97783 15.6802 8.61306 13.7327 13.0451 numMergedOcc 0
75 mol 218 unq 1 iso 1 dist 7.13323 7.83217 7.17547 9.97783 6.61099 5.7776 13.7327 8.61306 15.6802 13.0451 numMergedOcc 0
76 mol 227 unq 0 iso 0 dist 8.17891 5.22356 6.95902 10.5813 7.1372 7.22396 4.1511 7.79951 4.69247 11.2819 numMergedOcc 0
77 mol 227 unq 0 iso 1 dist 6.95902 5.22356 8.17891 7.22396 7.1372 10.5813 4.69247 7.79951 4.1511 11.2819 numMergedOcc 0
78 mol 235 unq 0 iso 0 dist 9.58736 9.85037 9.43058 15.0089 9.31673 11.1908 13.7306 7.02029 7.31605 9.78535 numMergedOcc 0
79 mol 235 unq 0 iso 1 dist 9.43058 9.85037 9.58736 11.1908 9.31673 15.0089 7.31605 7.02029 13.7306 9.78535 numMergedOcc 0
80 mol 235 unq 1 iso 0 dist 9.58736 13.6669 8.75735 15.0089 9.31673 7.87789 13.7306 7.02029 4.12497 9.78535 numMergedOcc 0
81 mol 235 unq 1 iso 1 dist 8.75735 13.6669 9.58736 7.87789 9.31673 15.0089 4.12497 7.02029 13.7306 9.78535 numMergedOcc 0
82 mol 235 unq 2 iso 0 dist 9.58736 16.4493 6.98084 15.0089 9.31673 11.5211 13.7306 7.02029 8.26028 9.78535 numMergedOcc 0
83 mol 235 unq 2 iso 1 dist 6.98084 16.4493 9.58736 11.5211 9.31673 15.0089 8.26028 7.02029 13.7306 9.78535 numMergedOcc 0
84 mol 235 unq 3 iso 0 dist 9.58736 15.4 7.32211 15.0089 9.31673 6.65703 13.7306 7.02029 10.7187 9.78535 numMergedOcc 0
85 mol 235 unq 3 iso 1 dist 7.32211 15.4 9.58736 6.65703 9.31673 15.0089 10.7187 7.02029 13.7306 9.78535 numMergedOcc 0
86 mol 235 unq 1 iso 0 dist 9.43058 5.52217 8.75735 11.1908 9.31673 7.87789 7.31605 7.02029 4.12497 9.78535 numMergedOcc 0
87 mol 235 unq 1 iso 1 dist 8.75735 5.52217 9.43058 7.87789 9.31673 11.1908 4.12497 7.02029 7.31605 9.78535 numMergedOcc 0
88 mol 235 unq 2 iso 0 dist 9.43058 14.4362 6.98084 11.1908 9.31673 11.5211 7.31605 7.02029 8.26028 9.78535 numMergedOcc 0
89 mol 235 unq 2 iso 1 dist 6.98084 14.4362 9.43058 11.5211 9.31673 11.1908 8.26028 7.02029 7.31605 9.78535 numMergedOcc 0
90 mol 235 unq 3 iso 0 dist 9.43058 14.4107 7.32211 11.1908 9.31673 6.65703 7.31605 7.02029 10.7187 9.78535 numMergedOcc 0
91 mol 235 unq 3 iso 1 dist 7.32211 14.4107 9.43058 6.65703 9.31673 11.1908 10.7187 7.02029 7.31605 9.78535 numMergedOcc 0
92 mol 235 unq 2 iso 0 dist 8.75735 11.3519 6.98084 7.87789 9.31673 11.5211 4.12497 7.02029 8.26028 9.78535 numMergedOcc 0
93 mol 235 unq 2 iso 1 dist 6.98084 11.3519 8.75735 11.5211 9.31673 7.87789 8.26028 7.02029 4.12497 9.78535 numMergedOcc 0
94 mol 235 unq 3 iso 0 dist 8.75735 11.3789 7.32211 7.87789 9.31673 6.65703 4.12497 7.02029 10.7187 9.78535 numMergedOcc 0
95 mol 235 unq 3 iso 1 dist 7.32211 11.3789 8.75735 6.65703 9.31673 7.87789 10.7187 7.02029 4.12497 9.78535 numMergedOcc 0
96 mol 235 unq 3 iso 0 dist 6.98084 7.218 7.32211 11.5211 9.31673 6.65703 8.26028 7.02029 10.7187 9.78535 numMergedOcc 0
97 mol 235 unq 3 iso 1 dist 7.32211 7.218 6.98084 6.65703 9.31673 11.5211 10.7187 7.02029 8.26028 9.78535 numMergedOcc 0
98 mol 238 unq 0 iso 0 dist 5.38637 5.42006 6.55759 11.1167 8.6597 7.83352 13.378 9.38131 10.4966 4.14399 numMergedOcc 0
99 mol 238 unq 0 iso 1 dist 6.55759 5.42006 5.38637 7.83352 8.6597 11.1167 10.4966 9.38131 13.378 4.14399 numMergedOcc 0
100 mol 238 unq 1 iso 0 dist 8.96531 12.9854 7.02475 7.69482 7.47235 7.83352 5.79187 6.85253 10.4966 4.14399 numMergedOcc 0
101 mol 238 unq 1 iso 1 dist 7.02475 12.9854 8.96531 7.83352 7.47235 7.69482 10.4966 6.85253 5.79187 4.14399 numMergedOcc 0
102 mol 238 unq 2 iso 0 dist 7.49471 5.34096 7.19008 13.0113 6.89694 11.0349 12.7938 5.43613 11.0772 5.63944 numMergedOcc 0
103 mol 238 unq 2 iso 1 dist 7.19008 5.34096 7.49471 11.0349 6.89694 13.0113 11.0772 5.43613 12.7938 5.63944 numMergedOcc 0
104 mol 238 unq 3 iso 0 dist 7.49471 5.34096 7.19008 13.0113 6.89694 11.0349 6.82305 7.24334 5.71717 8.5378 numMergedOcc 0
105 mol 238 unq 3 iso 1 dist 7.19008 5.34096 7.49471 11.0349 6.89694 13.0113 5.71717 7.24334 6.82305 8.5378 numMergedOcc 0
106 mol 238 unq 4 iso 0 dist 7.49471 5.34096 7.19008 10.216 6.44735 7.83352 12.7938 5.43613 11.0772 6.94907 numMergedOcc 0
107 mol 238 unq 4 iso 1 dist 7.19008 5.34096 7.49471 7.83352 6.44735 10.216 11.0772 5.43613 12.7938 6.94907 numMergedOcc 0
108 mol 238 unq 5 iso 0 dist 7.49471 5.34096 7.19008 10.216 6.44735 7.83352 6.82305 7.24334 5.71717 11.4389 numMergedOcc 0
109 mol 238 unq 5 iso 1 dist 7.19008 5.34096 7.49471 7.83352 6.44735 10.216 5.71717 7.24334 6.82305 11.4389 numMergedOcc 0
110 mol 259 unq 0 iso 0 dist 7.48005 12.5353 8.37865 5.60748 6.39918 7.31951 10.282 8.84648 4.04513 4.67584 numMergedOcc 0
111 mol 259 unq 0 iso 1 dist 8.37865 12.5353 7.48005 7.31951 6.39918 5.60748 4.04513 8.84648 10.282 4.67584 numMergedOcc 0
112 mol 259 unq 1 iso 0 dist 7.48005 12.5353 8.37865 5.60748 6.39918 7.31951 10.067 6.23661 7.09907 7.32929 numMergedOcc 0
113 mol 259 unq 1 iso 1 dist 8.37865 12.5353 7.48005 7.31951 6.39918 5.60748 7.09907 6.23661 10.067 7.32929 numMergedOcc 0
