0 mol 7 unq 0 iso 0 dist 6.36911 13.2247 9.36807 5.03847 9.97624 13.8829 6.88805 8.81608 13.156 5.5683 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.36807 13.2247 6.36911 13.8829 9.97624 5.03847 13.156 8.81608 6.88805 5.5683 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.52106 5.51376 6.32451 10.6757 8.80193 7.62011 11.5747 9.35863 6.96996 3.84273 numMergedOcc 0
3 mol 18 unq 0 iso 1 dist 6.32451 5.51376 8.52106 7.62011 8.80193 10.6757 6.96996 9.35863 11.5747 3.84273 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 8.52106 5.51376 6.32451 10.6757 8.80193 7.62011 6.11048 5.04478 4.52259 11.0746 numMergedOcc 0
5 mol 18 unq 1 iso 1 dist 6.32451 5.51376 8.52106 7.62011 8.80193 10.6757 4.52259 5.04478 6.11048 11.0746 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.21982 10.2879 8.19682 4.85247 7.03226 6.45686 5.31985 9.4866 15.4159 10.1364 numMergedOcc 0
7 mol 76 unq 0 iso 1 dist 8.19682 10.2879 6.21982 6.45686 7.03226 4.85247 15.4159 9.4866 5.31985 10.1364 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 7.39889 11.6667 9.63176 5.92984 7.26955 15.5019 6.30721 6.55202 6.9194 10.3622 numMergedOcc 0
9 mol 119 unq 0 iso 1 dist 9.63176 11.6667 7.39889 15.5019 7.26955 5.92984 6.9194 6.55202 6.30721 10.3622 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 7.39889 11.6667 9.63176 5.92984 7.26955 15.5019 14.443 9.08536 9.68677 14.9264 numMergedOcc 0
11 mol 119 unq 1 iso 1 dist 9.63176 11.6667 7.39889 15.5019 7.26955 5.92984 9.68677 9.08536 14.443 14.9264 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 7.39889 11.3169 7.44174 5.92984 7.26955 10.314 6.30721 6.55202 12.4621 10.3622 numMergedOcc 0
13 mol 119 unq 2 iso 1 dist 7.44174 11.3169 7.39889 10.314 7.26955 5.92984 12.4621 6.55202 6.30721 10.3622 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 7.39889 11.3169 7.44174 5.92984 7.26955 10.314 14.443 9.08536 6.20019 14.9264 numMergedOcc 0
15 mol 119 unq 3 iso 1 dist 7.44174 11.3169 7.39889 10.314 7.26955 5.92984 6.20019 9.08536 14.443 14.9264 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 9.63176 12.4603 7.44174 15.5019 7.26955 10.314 6.9194 6.55202 12.4621 10.3622 numMergedOcc 0
17 mol 119 unq 2 iso 1 dist 7.44174 12.4603 9.63176 10.314 7.26955 15.5019 12.4621 6.55202 6.9194 10.3622 numMergedOcc 0
18 mol 119 unq 3 iso 0 dist 9.63176 12.4603 7.44174 15.5019 7.26955 10.314 9.68677 9.08536 6.20019 14.9264 numMergedOcc 0
19 mol 119 unq 3 iso 1 dist 7.44174 12.4603 9.63176 10.314 7.26955 15.5019 6.20019 9.08536 9.68677 14.9264 numMergedOcc 0
20 mol 126 unq 0 iso 0 dist 7.75534 7.12167 9.06011 6.0268 7.36017 10.1326 5.42561 8.7789 7.47528 3.9234 numMergedOcc 0
21 mol 126 unq 0 iso 1 dist 9.06011 7.12167 7.75534 10.1326 7.36017 6.0268 7.47528 8.7789 5.42561 3.9234 numMergedOcc 0
22 mol 126 unq 1 iso 0 dist 7.75534 7.12167 9.06011 6.0268 7.36017 10.1326 10.7549 9.93613 11.9496 5.50104 numMergedOcc 0
23 mol 126 unq 1 iso 1 dist 9.06011 7.12167 7.75534 10.1326 7.36017 6.0268 11.9496 9.93613 10.7549 5.50104 numMergedOcc 0
24 mol 126 unq 2 iso 0 dist 7.75534 7.12167 9.06011 8.01268 5.14819 6.51507 5.42561 8.7789 7.47528 6.1079 numMergedOcc 0
25 mol 126 unq 2 iso 1 dist 9.06011 7.12167 7.75534 6.51507 5.14819 8.01268 7.47528 8.7789 5.42561 6.1079 numMergedOcc 0
26 mol 126 unq 3 iso 0 dist 7.75534 7.12167 9.06011 8.01268 5.14819 6.51507 10.7549 9.93613 11.9496 7.02562 numMergedOcc 0
27 mol 126 unq 3 iso 1 dist 9.06011 7.12167 7.75534 6.51507 5.14819 8.01268 11.9496 9.93613 10.7549 7.02562 numMergedOcc 0
28 mol 126 unq 4 iso 0 dist 7.75534 7.12167 9.06011 10.2072 6.84245 5.78149 5.42561 8.7789 7.47528 9.58426 numMergedOcc 0
29 mol 126 unq 4 iso 1 dist 9.06011 7.12167 7.75534 5.78149 6.84245 10.2072 7.47528 8.7789 5.42561 9.58426 numMergedOcc 0
30 mol 126 unq 5 iso 0 dist 7.75534 7.12167 9.06011 10.2072 6.84245 5.78149 10.7549 9.93613 11.9496 11.1195 numMergedOcc 0
31 mol 126 unq 5 iso 1 dist 9.06011 7.12167 7.75534 5.78149 6.84245 10.2072 11.9496 9.93613 10.7549 11.1195 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 8.94837 7.93571 7.77454 14.2198 6.93279 11.147 11.5407 5.52149 5.91192 6.06606 numMergedOcc 0
33 mol 134 unq 0 iso 1 dist 7.77454 7.93571 8.94837 11.147 6.93279 14.2198 5.91192 5.52149 11.5407 6.06606 numMergedOcc 0
34 mol 143 unq 0 iso 0 dist 7.31468 5.72828 7.7056 10.0059 6.46089 8.57817 7.63293 7.05845 11.903 12.207 numMergedOcc 0
35 mol 143 unq 0 iso 1 dist 7.7056 5.72828 7.31468 8.57817 6.46089 10.0059 11.903 7.05845 7.63293 12.207 numMergedOcc 0
36 mol 173 unq 0 iso 0 dist 7.93331 4.83994 6.98095 6.14414 8.41245 5.27321 12.4131 8.62366 12.5815 16.0084 numMergedOcc 0
37 mol 173 unq 0 iso 1 dist 6.98095 4.83994 7.93331 5.27321 8.41245 6.14414 12.5815 8.62366 12.4131 16.0084 numMergedOcc 0
38 mol 173 unq 1 iso 0 dist 7.93331 4.83994 6.98095 6.14414 8.41245 5.27321 8.85462 9.44973 9.65654 13.8465 numMergedOcc 0
39 mol 173 unq 1 iso 1 dist 6.98095 4.83994 7.93331 5.27321 8.41245 6.14414 9.65654 9.44973 8.85462 13.8465 numMergedOcc 0
40 mol 173 unq 2 iso 0 dist 7.93331 4.83994 6.98095 6.14414 8.41245 5.27321 6.91529 6.52508 9.44845 11.2063 numMergedOcc 0
41 mol 173 unq 2 iso 1 dist 6.98095 4.83994 7.93331 5.27321 8.41245 6.14414 9.44845 6.52508 6.91529 11.2063 numMergedOcc 0
42 mol 173 unq 3 iso 0 dist 7.93331 4.83994 6.98095 4.72839 6.64779 8.07089 12.4131 8.62366 12.5815 11.3761 numMergedOcc 0
43 mol 173 unq 3 iso 1 dist 6.98095 4.83994 7.93331 8.07089 6.64779 4.72839 12.5815 8.62366 12.4131 11.3761 numMergedOcc 0
44 mol 173 unq 4 iso 0 dist 7.93331 4.83994 6.98095 4.72839 6.64779 8.07089 8.85462 9.44973 9.65654 9.90783 numMergedOcc 0
45 mol 173 unq 4 iso 1 dist 6.98095 4.83994 7.93331 8.07089 6.64779 4.72839 9.65654 9.44973 8.85462 9.90783 numMergedOcc 0
46 mol 173 unq 5 iso 0 dist 7.93331 4.83994 6.98095 4.72839 6.64779 8.07089 6.91529 6.52508 9.44845 4.60149 numMergedOcc 0
47 mol 173 unq 5 iso 1 dist 6.98095 4.83994 7.93331 8.07089 6.64779 4.72839 9.44845 6.52508 6.91529 4.60149 numMergedOcc 0
48 mol 173 unq 6 iso 0 dist 7.93331 5.16343 8.31897 6.14414 8.41245 10.8609 12.4131 8.62366 8.63452 16.0084 numMergedOcc 0
49 mol 173 unq 6 iso 1 dist 8.31897 5.16343 7.93331 10.8609 8.41245 6.14414 8.63452 8.62366 12.4131 16.0084 numMergedOcc 0
50 mol 173 unq 7 iso 0 dist 7.93331 5.16343 8.31897 6.14414 8.41245 10.8609 8.85462 9.44973 4.83786 13.8465 numMergedOcc 0
51 mol 173 unq 7 iso 1 dist 8.31897 5.16343 7.93331 10.8609 8.41245 6.14414 4.83786 9.44973 8.85462 13.8465 numMergedOcc 0
52 mol 173 unq 8 iso 0 dist 7.93331 5.16343 8.31897 6.14414 8.41245 10.8609 6.91529 6.52508 3.74688 11.2063 numMergedOcc 0
53 mol 173 unq 8 iso 1 dist 8.31897 5.16343 7.93331 10.8609 8.41245 6.14414 3.74688 6.52508 6.91529 11.2063 numMergedOcc 0
54 mol 173 unq 9 iso 0 dist 7.93331 5.16343 8.31897 4.72839 6.64779 5.70743 12.4131 8.62366 8.63452 11.3761 numMergedOcc 0
55 mol 173 unq 9 iso 1 dist 8.31897 5.16343 7.93331 5.70743 6.64779 4.72839 8.63452 8.62366 12.4131 11.3761 numMergedOcc 0
56 mol 173 unq 10 iso 0 dist 7.93331 5.16343 8.31897 4.72839 6.64779 5.70743 8.85462 9.44973 4.83786 9.90783 numMergedOcc 0
57 mol 173 unq 10 iso 1 dist 8.31897 5.16343 7.93331 5.70743 6.64779 4.72839 4.83786 9.44973 8.85462 9.90783 numMergedOcc 0
58 mol 173 unq 11 iso 0 dist 7.93331 5.16343 8.31897 4.72839 6.64779 5.70743 6.91529 6.52508 3.74688 4.60149 numMergedOcc 0
59 mol 173 unq 11 iso 1 dist 8.31897 5.16343 7.93331 5.70743 6.64779 4.72839 3.74688 6.52508 6.91529 4.60149 numMergedOcc 0
60 mol 173 unq 6 iso 0 dist 6.98095 8.17887 8.31897 5.27321 8.41245 10.8609 12.5815 8.62366 8.63452 16.0084 numMergedOcc 0
61 mol 173 unq 6 iso 1 dist 8.31897 8.17887 6.98095 10.8609 8.41245 5.27321 8.63452 8.62366 12.5815 16.0084 numMergedOcc 0
62 mol 173 unq 7 iso 0 dist 6.98095 8.17887 8.31897 5.27321 8.41245 10.8609 9.65654 9.44973 4.83786 13.8465 numMergedOcc 0
63 mol 173 unq 7 iso 1 dist 8.31897 8.17887 6.98095 10.8609 8.41245 5.27321 4.83786 9.44973 9.65654 13.8465 numMergedOcc 0
64 mol 173 unq 8 iso 0 dist 6.98095 8.17887 8.31897 5.27321 8.41245 10.8609 9.44845 6.52508 3.74688 11.2063 numMergedOcc 0
65 mol 173 unq 8 iso 1 dist 8.31897 8.17887 6.98095 10.8609 8.41245 5.27321 3.74688 6.52508 9.44845 11.2063 numMergedOcc 0
66 mol 173 unq 9 iso 0 dist 6.98095 8.17887 8.31897 8.07089 6.64779 5.70743 12.5815 8.62366 8.63452 11.3761 numMergedOcc 0
67 mol 173 unq 9 iso 1 dist 8.31897 8.17887 6.98095 5.70743 6.64779 8.07089 8.63452 8.62366 12.5815 11.3761 numMergedOcc 0
68 mol 173 unq 10 iso 0 dist 6.98095 8.17887 8.31897 8.07089 6.64779 5.70743 9.65654 9.44973 4.83786 9.90783 numMergedOcc 0
69 mol 173 unq 10 iso 1 dist 8.31897 8.17887 6.98095 5.70743 6.64779 8.07089 4.83786 9.44973 9.65654 9.90783 numMergedOcc 0
70 mol 173 unq 11 iso 0 dist 6.98095 8.17887 8.31897 8.07089 6.64779 5.70743 9.44845 6.52508 3.74688 4.60149 numMergedOcc 0
71 mol 173 unq 11 iso 1 dist 8.31897 8.17887 6.98095 5.70743 6.64779 8.07089 3.74688 6.52508 9.44845 4.60149 numMergedOcc 0
72 mol 227 unq 0 iso 0 dist 8.17891 5.22356 6.95902 10.9607 7.57454 9.72615 4.1511 7.79951 4.69247 12.8337 numMergedOcc 0
73 mol 227 unq 0 iso 1 dist 6.95902 5.22356 8.17891 9.72615 7.57454 10.9607 4.69247 7.79951 4.1511 12.8337 numMergedOcc 0
74 mol 235 unq 0 iso 0 dist 9.58736 9.85037 9.43058 15.6327 7.31773 10.632 13.7306 7.02029 7.31605 5.4263 numMergedOcc 0
75 mol 235 unq 0 iso 1 dist 9.43058 9.85037 9.58736 10.632 7.31773 15.6327 7.31605 7.02029 13.7306 5.4263 numMergedOcc 0
76 mol 235 unq 1 iso 0 dist 9.58736 13.6669 8.75735 15.6327 7.31773 6.01041 13.7306 7.02029 4.12497 5.4263 numMergedOcc 0
77 mol 235 unq 1 iso 1 dist 8.75735 13.6669 9.58736 6.01041 7.31773 15.6327 4.12497 7.02029 13.7306 5.4263 numMergedOcc 0
78 mol 235 unq 2 iso 0 dist 9.58736 16.4493 6.98084 15.6327 7.31773 6.82855 13.7306 7.02029 8.26028 5.4263 numMergedOcc 0
79 mol 235 unq 2 iso 1 dist 6.98084 16.4493 9.58736 6.82855 7.31773 15.6327 8.26028 7.02029 13.7306 5.4263 numMergedOcc 0
80 mol 235 unq 3 iso 0 dist 9.58736 15.4 7.32211 15.6327 7.31773 6.46722 13.7306 7.02029 10.7187 5.4263 numMergedOcc 0
81 mol 235 unq 3 iso 1 dist 7.32211 15.4 9.58736 6.46722 7.31773 15.6327 10.7187 7.02029 13.7306 5.4263 numMergedOcc 0
82 mol 235 unq 1 iso 0 dist 9.43058 5.52217 8.75735 10.632 7.31773 6.01041 7.31605 7.02029 4.12497 5.4263 numMergedOcc 0
83 mol 235 unq 1 iso 1 dist 8.75735 5.52217 9.43058 6.01041 7.31773 10.632 4.12497 7.02029 7.31605 5.4263 numMergedOcc 0
84 mol 235 unq 2 iso 0 dist 9.43058 14.4362 6.98084 10.632 7.31773 6.82855 7.31605 7.02029 8.26028 5.4263 numMergedOcc 0
85 mol 235 unq 2 iso 1 dist 6.98084 14.4362 9.43058 6.82855 7.31773 10.632 8.26028 7.02029 7.31605 5.4263 numMergedOcc 0
86 mol 235 unq 3 iso 0 dist 9.43058 14.4107 7.32211 10.632 7.31773 6.46722 7.31605 7.02029 10.7187 5.4263 numMergedOcc 0
87 mol 235 unq 3 iso 1 dist 7.32211 14.4107 9.43058 6.46722 7.31773 10.632 10.7187 7.02029 7.31605 5.4263 numMergedOcc 0
88 mol 235 unq 2 iso 0 dist 8.75735 11.3519 6.98084 6.01041 7.31773 6.82855 4.12497 7.02029 8.26028 5.4263 numMergedOcc 0
89 mol 235 unq 2 iso 1 dist 6.98084 11.3519 8.75735 6.82855 7.31773 6.01041 8.26028 7.02029 4.12497 5.4263 numMergedOcc 0
90 mol 235 unq 3 iso 0 dist 8.75735 11.3789 7.32211 6.01041 7.31773 6.46722 4.12497 7.02029 10.7187 5.4263 numMergedOcc 0
91 mol 235 unq 3 iso 1 dist 7.32211 11.3789 8.75735 6.46722 7.31773 6.01041 10.7187 7.02029 4.12497 5.4263 numMergedOcc 0
92 mol 235 unq 3 iso 0 dist 6.98084 7.218 7.32211 6.82855 7.31773 6.46722 8.26028 7.02029 10.7187 5.4263 numMergedOcc 0
93 mol 235 unq 3 iso 1 dist 7.32211 7.218 6.98084 6.46722 7.31773 6.82855 10.7187 7.02029 8.26028 5.4263 numMergedOcc 0
94 mol 238 unq 0 iso 0 dist 6.05141 5.6348 8.09066 10.7081 8.09718 12.2874 5.27215 8.69525 6.13368 15.3328 numMergedOcc 0
95 mol 238 unq 0 iso 1 dist 8.09066 5.6348 6.05141 12.2874 8.09718 10.7081 6.13368 8.69525 5.27215 15.3328 numMergedOcc 0
96 mol 238 unq 1 iso 0 dist 6.05141 5.6348 8.09066 5.50308 6.73446 7.11984 5.27215 8.69525 6.13368 10.3346 numMergedOcc 0
97 mol 238 unq 1 iso 1 dist 8.09066 5.6348 6.05141 7.11984 6.73446 5.50308 6.13368 8.69525 5.27215 10.3346 numMergedOcc 0
98 mol 238 unq 2 iso 0 dist 6.05141 8.87326 7.2766 10.7081 8.09718 10.4017 5.27215 8.69525 10.0605 15.3328 numMergedOcc 0
99 mol 238 unq 2 iso 1 dist 7.2766 8.87326 6.05141 10.4017 8.09718 10.7081 10.0605 8.69525 5.27215 15.3328 numMergedOcc 0
100 mol 238 unq 3 iso 0 dist 6.05141 8.87326 7.2766 5.50308 6.73446 7.95232 5.27215 8.69525 10.0605 10.3346 numMergedOcc 0
101 mol 238 unq 3 iso 1 dist 7.2766 8.87326 6.05141 7.95232 6.73446 5.50308 10.0605 8.69525 5.27215 10.3346 numMergedOcc 0
102 mol 238 unq 2 iso 0 dist 8.09066 5.31152 7.2766 12.2874 8.09718 10.4017 6.13368 8.69525 10.0605 15.3328 numMergedOcc 0
103 mol 238 unq 2 iso 1 dist 7.2766 5.31152 8.09066 10.4017 8.09718 12.2874 10.0605 8.69525 6.13368 15.3328 numMergedOcc 0
104 mol 238 unq 3 iso 0 dist 8.09066 5.31152 7.2766 7.11984 6.73446 7.95232 6.13368 8.69525 10.0605 10.3346 numMergedOcc 0
105 mol 238 unq 3 iso 1 dist 7.2766 5.31152 8.09066 7.95232 6.73446 7.11984 10.0605 8.69525 6.13368 10.3346 numMergedOcc 0
106 mol 259 unq 0 iso 0 dist 7.48005 12.5353 8.37865 8.81835 8.71497 8.75685 10.282 8.84648 4.04513 7.57379 numMergedOcc 0
107 mol 259 unq 0 iso 1 dist 8.37865 12.5353 7.48005 8.75685 8.71497 8.81835 4.04513 8.84648 10.282 7.57379 numMergedOcc 0
108 mol 259 unq 1 iso 0 dist 7.48005 12.5353 8.37865 8.81835 8.71497 8.75685 10.067 6.23661 7.09907 4.47425 numMergedOcc 0
109 mol 259 unq 1 iso 1 dist 8.37865 12.5353 7.48005 8.75685 8.71497 8.81835 7.09907 6.23661 10.067 4.47425 numMergedOcc 0
110 mol 282 unq 0 iso 0 dist 6.85028 5.39891 7.32347 7.80785 6.8972 6.6348 4.57104 7.52924 5.29852 4.10152 numMergedOcc 0
111 mol 282 unq 0 iso 1 dist 7.32347 5.39891 6.85028 6.6348 6.8972 7.80785 5.29852 7.52924 4.57104 4.10152 numMergedOcc 0
112 mol 282 unq 1 iso 0 dist 6.85028 7.76539 8.3411 7.80785 6.8972 6.3458 4.57104 7.52924 5.80572 4.10152 numMergedOcc 0
113 mol 282 unq 1 iso 1 dist 8.3411 7.76539 6.85028 6.3458 6.8972 7.80785 5.80572 7.52924 4.57104 4.10152 numMergedOcc 0
114 mol 282 unq 1 iso 0 dist 7.32347 10.5372 8.3411 6.6348 6.8972 6.3458 5.29852 7.52924 5.80572 4.10152 numMergedOcc 0
115 mol 282 unq 1 iso 1 dist 8.3411 10.5372 7.32347 6.3458 6.8972 6.6348 5.80572 7.52924 5.29852 4.10152 numMergedOcc 0
