0 mol 7 unq 0 iso 0 dist 9.60499 6.7985 6.55304 6.44736 12.2869 6.14349 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.60499 6.44736 12.2869 6.7985 6.55304 6.14349 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 9.01567 8.67951 7.88693 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 6.86014 9.01567 8.67951 7.33768 4.32034 7.88693 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.86014 7.33768 4.32034 7.29868 8.52463 10.2653 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 6.86014 7.29868 8.52463 7.33768 4.32034 10.2653 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 7.29868 8.52463 6.16544 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 6.86014 7.29868 8.52463 9.01567 8.67951 6.16544 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 8.86116 8.60554 8.52463 8.44664 10.971 14.1496 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 8.86116 8.44664 10.971 8.60554 8.52463 14.1496 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 8.86116 8.60554 8.52463 9.44691 13.4893 9.62033 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 8.86116 9.44691 13.4893 8.60554 8.52463 9.62033 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 8.86116 8.44664 10.971 9.44691 13.4893 10.4263 numMergedOcc 0
13 mol 24 unq 3 iso 1 dist 8.86116 9.44691 13.4893 8.44664 10.971 10.4263 numMergedOcc 0
14 mol 24 unq 4 iso 0 dist 8.38394 8.60554 12.3994 8.44664 5.30734 14.1496 numMergedOcc 0
15 mol 24 unq 4 iso 1 dist 8.38394 8.44664 5.30734 8.60554 12.3994 14.1496 numMergedOcc 0
16 mol 24 unq 5 iso 0 dist 8.38394 8.60554 12.3994 9.44691 12.505 9.62033 numMergedOcc 0
17 mol 24 unq 5 iso 1 dist 8.38394 9.44691 12.505 8.60554 12.3994 9.62033 numMergedOcc 0
18 mol 24 unq 5 iso 0 dist 8.38394 8.44664 5.30734 9.44691 12.505 10.4263 numMergedOcc 0
19 mol 24 unq 5 iso 1 dist 8.38394 9.44691 12.505 8.44664 5.30734 10.4263 numMergedOcc 0
20 mol 24 unq 6 iso 0 dist 5.54419 8.4051 5.11617 8.23446 13.1779 14.1082 numMergedOcc 0
21 mol 24 unq 6 iso 1 dist 5.54419 8.23446 13.1779 8.4051 5.11617 14.1082 numMergedOcc 0
22 mol 24 unq 7 iso 0 dist 5.54419 8.4051 5.11617 8.75662 10.8238 9.62033 numMergedOcc 0
23 mol 24 unq 7 iso 1 dist 5.54419 8.75662 10.8238 8.4051 5.11617 9.62033 numMergedOcc 0
24 mol 24 unq 7 iso 0 dist 5.54419 8.23446 13.1779 8.75662 10.8238 11.342 numMergedOcc 0
25 mol 24 unq 7 iso 1 dist 5.54419 8.75662 10.8238 8.23446 13.1779 11.342 numMergedOcc 0
26 mol 24 unq 8 iso 0 dist 5.54419 8.70827 5.59311 6.73939 12.176 15.0804 numMergedOcc 0
27 mol 24 unq 8 iso 1 dist 5.54419 6.73939 12.176 8.70827 5.59311 15.0804 numMergedOcc 0
28 mol 24 unq 9 iso 0 dist 7.36323 8.4051 13.2229 8.23446 6.38336 14.1082 numMergedOcc 0
29 mol 24 unq 9 iso 1 dist 7.36323 8.23446 6.38336 8.4051 13.2229 14.1082 numMergedOcc 0
30 mol 24 unq 10 iso 0 dist 7.36323 8.4051 13.2229 8.75662 6.7828 9.62033 numMergedOcc 0
31 mol 24 unq 10 iso 1 dist 7.36323 8.75662 6.7828 8.4051 13.2229 9.62033 numMergedOcc 0
32 mol 24 unq 10 iso 0 dist 7.36323 8.23446 6.38336 8.75662 6.7828 11.342 numMergedOcc 0
33 mol 24 unq 10 iso 1 dist 7.36323 8.75662 6.7828 8.23446 6.38336 11.342 numMergedOcc 0
34 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 9.01548 13.9331 12.6805 numMergedOcc 0
35 mol 25 unq 0 iso 1 dist 5.04899 9.01548 13.9331 7.45383 7.33728 12.6805 numMergedOcc 0
36 mol 25 unq 1 iso 0 dist 7.57578 6.16347 9.34396 7.92503 6.11127 12.7398 numMergedOcc 0
37 mol 25 unq 1 iso 1 dist 7.57578 7.92503 6.11127 6.16347 9.34396 12.7398 numMergedOcc 0
38 mol 25 unq 2 iso 0 dist 7.17969 6.16347 10.8498 7.92503 5.30154 12.7398 numMergedOcc 0
39 mol 25 unq 2 iso 1 dist 7.17969 7.92503 5.30154 6.16347 10.8498 12.7398 numMergedOcc 0
40 mol 92 unq 0 iso 0 dist 9.33898 8.91313 17.5889 8.16392 10.8304 11.5449 numMergedOcc 0
41 mol 92 unq 0 iso 1 dist 9.33898 8.16392 10.8304 8.91313 17.5889 11.5449 numMergedOcc 0
42 mol 92 unq 1 iso 0 dist 9.64443 8.91313 13.3881 8.16392 5.90097 11.5449 numMergedOcc 0
43 mol 92 unq 1 iso 1 dist 9.64443 8.16392 5.90097 8.91313 13.3881 11.5449 numMergedOcc 0
44 mol 92 unq 2 iso 0 dist 7.4729 6.95572 9.50382 7.38677 12.7565 6.36037 numMergedOcc 0
45 mol 92 unq 2 iso 1 dist 7.4729 7.38677 12.7565 6.95572 9.50382 6.36037 numMergedOcc 0
46 mol 92 unq 3 iso 0 dist 6.82344 6.95572 7.56363 7.38677 5.91004 6.36037 numMergedOcc 0
47 mol 92 unq 3 iso 1 dist 6.82344 7.38677 5.91004 6.95572 7.56363 6.36037 numMergedOcc 0
48 mol 100 unq 0 iso 0 dist 7.47343 8.30845 12.2861 8.76378 15.5385 13.3504 numMergedOcc 0
49 mol 100 unq 0 iso 1 dist 7.47343 8.76378 15.5385 8.30845 12.2861 13.3504 numMergedOcc 0
50 mol 100 unq 1 iso 0 dist 6.65086 8.30845 5.80144 8.76378 12.3577 13.3504 numMergedOcc 0
51 mol 100 unq 1 iso 1 dist 6.65086 8.76378 12.3577 8.30845 5.80144 13.3504 numMergedOcc 0
52 mol 100 unq 2 iso 0 dist 6.56369 8.30845 10.0456 8.76378 4.97045 13.3504 numMergedOcc 0
53 mol 100 unq 2 iso 1 dist 6.56369 8.76378 4.97045 8.30845 10.0456 13.3504 numMergedOcc 0
54 mol 100 unq 3 iso 0 dist 9.30209 8.30845 6.70236 8.76378 10.7791 13.3504 numMergedOcc 0
55 mol 100 unq 3 iso 1 dist 9.30209 8.76378 10.7791 8.30845 6.70236 13.3504 numMergedOcc 0
56 mol 113 unq 0 iso 0 dist 5.86073 8.8822 10.1816 9.66219 8.42718 4.09459 numMergedOcc 0
57 mol 113 unq 0 iso 1 dist 5.86073 9.66219 8.42718 8.8822 10.1816 4.09459 numMergedOcc 0
58 mol 119 unq 0 iso 0 dist 8.73993 6.52773 7.20179 9.23858 9.89358 12.3703 numMergedOcc 0
59 mol 119 unq 0 iso 1 dist 8.73993 9.23858 9.89358 6.52773 7.20179 12.3703 numMergedOcc 0
60 mol 122 unq 0 iso 0 dist 8.37808 8.88537 5.0355 9.23819 7.39059 5.03547 numMergedOcc 0
61 mol 122 unq 0 iso 1 dist 8.37808 9.23819 7.39059 8.88537 5.0355 5.03547 numMergedOcc 0
62 mol 125 unq 0 iso 0 dist 8.62381 7.73435 7.43922 9.3778 11.0769 4.38093 numMergedOcc 0
63 mol 125 unq 0 iso 1 dist 8.62381 9.3778 11.0769 7.73435 7.43922 4.38093 numMergedOcc 0
64 mol 129 unq 0 iso 0 dist 9.61051 6.28565 6.30169 7.58957 5.68211 7.91034 numMergedOcc 0
65 mol 129 unq 0 iso 1 dist 9.61051 7.58957 5.68211 6.28565 6.30169 7.91034 numMergedOcc 0
66 mol 129 unq 1 iso 0 dist 5.83384 9.36851 10.7293 4.97175 7.29399 5.41583 numMergedOcc 0
67 mol 129 unq 1 iso 1 dist 5.83384 4.97175 7.29399 9.36851 10.7293 5.41583 numMergedOcc 0
68 mol 129 unq 2 iso 0 dist 5.83384 6.28565 4.55551 7.58957 10.5488 7.91034 numMergedOcc 0
69 mol 129 unq 2 iso 1 dist 5.83384 7.58957 10.5488 6.28565 4.55551 7.91034 numMergedOcc 0
70 mol 131 unq 0 iso 0 dist 6.85062 8.70296 14.2045 9.25558 5.09131 14.5627 numMergedOcc 0
71 mol 131 unq 0 iso 1 dist 6.85062 9.25558 5.09131 8.70296 14.2045 14.5627 numMergedOcc 0
72 mol 133 unq 0 iso 0 dist 7.11802 9.22232 16.0138 9.22661 5.92062 18.2432 numMergedOcc 0
73 mol 133 unq 0 iso 1 dist 7.11802 9.22661 5.92062 9.22232 16.0138 18.2432 numMergedOcc 0
74 mol 133 unq 1 iso 0 dist 7.11802 9.22232 16.0138 7.56378 6.61891 15.4484 numMergedOcc 0
75 mol 133 unq 1 iso 1 dist 7.11802 7.56378 6.61891 9.22232 16.0138 15.4484 numMergedOcc 0
76 mol 133 unq 1 iso 0 dist 7.11802 9.22661 5.92062 7.56378 6.61891 7.33253 numMergedOcc 0
77 mol 133 unq 1 iso 1 dist 7.11802 7.56378 6.61891 9.22661 5.92062 7.33253 numMergedOcc 0
78 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 8.91301 5.20762 4.30566 numMergedOcc 0
79 mol 143 unq 0 iso 1 dist 5.99315 8.91301 5.20762 7.78652 6.48978 4.30566 numMergedOcc 0
80 mol 156 unq 0 iso 0 dist 8.34702 7.30357 10.4977 8.61587 12.4274 6.12113 numMergedOcc 0
81 mol 156 unq 0 iso 1 dist 8.34702 8.61587 12.4274 7.30357 10.4977 6.12113 numMergedOcc 0
82 mol 156 unq 1 iso 0 dist 7.44554 9.44367 5.4555 9.47433 11.9952 16.7026 numMergedOcc 0
83 mol 156 unq 1 iso 1 dist 7.44554 9.47433 11.9952 9.44367 5.4555 16.7026 numMergedOcc 0
84 mol 156 unq 2 iso 0 dist 9.06726 7.30357 12.3086 8.61587 10.9151 6.12113 numMergedOcc 0
85 mol 156 unq 2 iso 1 dist 9.06726 8.61587 10.9151 7.30357 12.3086 6.12113 numMergedOcc 0
86 mol 156 unq 3 iso 0 dist 8.33171 7.30357 7.79535 8.61587 6.98125 6.12113 numMergedOcc 0
87 mol 156 unq 3 iso 1 dist 8.33171 8.61587 6.98125 7.30357 7.79535 6.12113 numMergedOcc 0
88 mol 170 unq 0 iso 0 dist 9.76807 6.35982 4.34698 7.51126 5.75144 6.24983 numMergedOcc 0
89 mol 170 unq 0 iso 1 dist 9.76807 7.51126 5.75144 6.35982 4.34698 6.24983 numMergedOcc 0
90 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 6.59025 8.04639 9.87773 numMergedOcc 0
91 mol 181 unq 0 iso 1 dist 8.03334 6.59025 8.04639 6.46704 4.43096 9.87773 numMergedOcc 0
92 mol 181 unq 1 iso 0 dist 5.98885 9.72611 5.6044 7.99195 6.6251 12.1167 numMergedOcc 0
93 mol 181 unq 1 iso 1 dist 5.98885 7.99195 6.6251 9.72611 5.6044 12.1167 numMergedOcc 0
94 mol 181 unq 2 iso 0 dist 9.09537 9.72611 12.9468 7.99195 10.09 12.1167 numMergedOcc 0
95 mol 181 unq 2 iso 1 dist 9.09537 7.99195 10.09 9.72611 12.9468 12.1167 numMergedOcc 0
96 mol 181 unq 3 iso 0 dist 7.63312 5.9176 5.63555 6.41453 7.20191 9.53592 numMergedOcc 0
97 mol 181 unq 3 iso 1 dist 7.63312 6.41453 7.20191 5.9176 5.63555 9.53592 numMergedOcc 0
98 mol 182 unq 0 iso 0 dist 9.31746 6.73956 7.68794 7.09394 9.37404 6.27728 numMergedOcc 0
99 mol 182 unq 0 iso 1 dist 9.31746 7.09394 9.37404 6.73956 7.68794 6.27728 numMergedOcc 0
100 mol 197 unq 0 iso 0 dist 8.56633 7.50013 8.46623 5.81233 10.7305 5.33623 numMergedOcc 0
101 mol 197 unq 0 iso 1 dist 8.56633 5.81233 10.7305 7.50013 8.46623 5.33623 numMergedOcc 0
102 mol 197 unq 1 iso 0 dist 8.56633 7.50013 8.46623 6.92924 5.41996 9.20574 numMergedOcc 0
103 mol 197 unq 1 iso 1 dist 8.56633 6.92924 5.41996 7.50013 8.46623 9.20574 numMergedOcc 0
104 mol 197 unq 2 iso 0 dist 8.56633 7.50013 8.46623 7.14306 6.64537 10.8407 numMergedOcc 0
105 mol 197 unq 2 iso 1 dist 8.56633 7.14306 6.64537 7.50013 8.46623 10.8407 numMergedOcc 0
106 mol 197 unq 1 iso 0 dist 8.56633 5.81233 10.7305 6.92924 5.41996 11.2132 numMergedOcc 0
107 mol 197 unq 1 iso 1 dist 8.56633 6.92924 5.41996 5.81233 10.7305 11.2132 numMergedOcc 0
108 mol 197 unq 2 iso 0 dist 8.56633 5.81233 10.7305 7.14306 6.64537 9.56047 numMergedOcc 0
109 mol 197 unq 2 iso 1 dist 8.56633 7.14306 6.64537 5.81233 10.7305 9.56047 numMergedOcc 0
110 mol 197 unq 2 iso 0 dist 8.56633 6.92924 5.41996 7.14306 6.64537 8.81358 numMergedOcc 0
111 mol 197 unq 2 iso 1 dist 8.56633 7.14306 6.64537 6.92924 5.41996 8.81358 numMergedOcc 0
112 mol 206 unq 0 iso 0 dist 7.7366 6.16414 6.45859 7.33701 4.40897 6.46458 numMergedOcc 0
113 mol 206 unq 0 iso 1 dist 7.7366 7.33701 4.40897 6.16414 6.45859 6.46458 numMergedOcc 0
114 mol 206 unq 1 iso 0 dist 7.7366 6.16414 6.45859 8.0871 7.62219 9.9892 numMergedOcc 0
115 mol 206 unq 1 iso 1 dist 7.7366 8.0871 7.62219 6.16414 6.45859 9.9892 numMergedOcc 0
116 mol 206 unq 1 iso 0 dist 7.7366 7.33701 4.40897 8.0871 7.62219 4.38701 numMergedOcc 0
117 mol 206 unq 1 iso 1 dist 7.7366 8.0871 7.62219 7.33701 4.40897 4.38701 numMergedOcc 0
118 mol 222 unq 0 iso 0 dist 8.01589 7.67576 10.3151 9.82371 8.52017 11.3283 numMergedOcc 0
119 mol 222 unq 0 iso 1 dist 8.01589 9.82371 8.52017 7.67576 10.3151 11.3283 numMergedOcc 0
120 mol 222 unq 1 iso 0 dist 7.7699 7.67576 7.81022 9.82371 15.7504 11.3283 numMergedOcc 0
121 mol 222 unq 1 iso 1 dist 7.7699 9.82371 15.7504 7.67576 7.81022 11.3283 numMergedOcc 0
122 mol 222 unq 2 iso 0 dist 7.21333 7.67576 7.75656 9.82371 16.0949 11.3283 numMergedOcc 0
123 mol 222 unq 2 iso 1 dist 7.21333 9.82371 16.0949 7.67576 7.75656 11.3283 numMergedOcc 0
124 mol 227 unq 0 iso 0 dist 9.34734 7.43071 6.00424 5.41321 10.7656 11.362 numMergedOcc 0
125 mol 227 unq 0 iso 1 dist 9.34734 5.41321 10.7656 7.43071 6.00424 11.362 numMergedOcc 0
126 mol 227 unq 1 iso 0 dist 7.22101 7.43071 6.35849 5.41321 10.9607 11.362 numMergedOcc 0
127 mol 227 unq 1 iso 1 dist 7.22101 5.41321 10.9607 7.43071 6.35849 11.362 numMergedOcc 0
128 mol 227 unq 2 iso 0 dist 8.65997 7.43071 10.204 5.41321 9.72615 11.362 numMergedOcc 0
129 mol 227 unq 2 iso 1 dist 8.65997 5.41321 9.72615 7.43071 10.204 11.362 numMergedOcc 0
130 mol 227 unq 3 iso 0 dist 7.56888 7.43071 9.76735 5.41321 5.10635 11.362 numMergedOcc 0
131 mol 227 unq 3 iso 1 dist 7.56888 5.41321 5.10635 7.43071 9.76735 11.362 numMergedOcc 0
132 mol 227 unq 4 iso 0 dist 7.55216 7.43071 9.32448 5.41321 6.48027 11.362 numMergedOcc 0
133 mol 227 unq 4 iso 1 dist 7.55216 5.41321 6.48027 7.43071 9.32448 11.362 numMergedOcc 0
134 mol 234 unq 0 iso 0 dist 8.41436 6.30154 7.44558 7.32499 10.7902 10.0708 numMergedOcc 0
135 mol 234 unq 0 iso 1 dist 8.41436 7.32499 10.7902 6.30154 7.44558 10.0708 numMergedOcc 0
136 mol 234 unq 1 iso 0 dist 8.92474 6.30154 10.9712 7.32499 4.4288 10.0708 numMergedOcc 0
137 mol 234 unq 1 iso 1 dist 8.92474 7.32499 4.4288 6.30154 10.9712 10.0708 numMergedOcc 0
138 mol 243 unq 0 iso 0 dist 8.23192 8.76935 6.60697 8.47652 4.26017 4.52689 numMergedOcc 0
139 mol 243 unq 0 iso 1 dist 8.23192 8.47652 4.26017 8.76935 6.60697 4.52689 numMergedOcc 0
