0 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 7.33768 4.32034 5.90981 9.01567 8.67951 13.2265 7.88693 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.86014 9.75144 5.39241 9.01567 8.67951 13.2265 7.33768 4.32034 5.90981 7.88693 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.86014 9.75144 5.39241 7.33768 4.32034 5.90981 7.29868 8.52463 13.719 10.2653 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.86014 9.75144 5.39241 7.29868 8.52463 13.719 7.33768 4.32034 5.90981 10.2653 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.86014 9.75144 5.39241 9.01567 8.67951 13.2265 7.29868 8.52463 13.719 6.16544 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 6.86014 9.75144 5.39241 7.29868 8.52463 13.719 9.01567 8.67951 13.2265 6.16544 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.33898 8.36431 10.9701 8.91313 17.5889 10.2475 8.16392 10.8304 6.94695 11.5449 numMergedOcc 0
7 mol 92 unq 0 iso 1 dist 9.33898 8.36431 10.9701 8.16392 10.8304 6.94695 8.91313 17.5889 10.2475 11.5449 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 9.64443 8.36431 12.4284 8.91313 13.3881 10.2475 8.16392 5.90097 6.94695 11.5449 numMergedOcc 0
9 mol 92 unq 1 iso 1 dist 9.64443 8.36431 12.4284 8.16392 5.90097 6.94695 8.91313 13.3881 10.2475 11.5449 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 7.47343 7.75343 15.209 8.30845 12.2861 10.0891 8.76378 15.5385 4.44538 13.3504 numMergedOcc 0
11 mol 100 unq 0 iso 1 dist 7.47343 7.75343 15.209 8.76378 15.5385 4.44538 8.30845 12.2861 10.0891 13.3504 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 6.65086 7.75343 10.9608 8.30845 5.80144 10.0891 8.76378 12.3577 4.44538 13.3504 numMergedOcc 0
13 mol 100 unq 1 iso 1 dist 6.65086 7.75343 10.9608 8.76378 12.3577 4.44538 8.30845 5.80144 10.0891 13.3504 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 6.56369 7.75343 5.69137 8.30845 10.0456 10.0891 8.76378 4.97045 4.44538 13.3504 numMergedOcc 0
15 mol 100 unq 2 iso 1 dist 6.56369 7.75343 5.69137 8.76378 4.97045 4.44538 8.30845 10.0456 10.0891 13.3504 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 9.30209 7.75343 9.21622 8.30845 6.70236 10.0891 8.76378 10.7791 4.44538 13.3504 numMergedOcc 0
17 mol 100 unq 3 iso 1 dist 9.30209 7.75343 9.21622 8.76378 10.7791 4.44538 8.30845 6.70236 10.0891 13.3504 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 6.85062 6.91348 6.19596 8.70296 14.2045 9.93183 9.25558 5.09131 5.90177 14.5627 numMergedOcc 0
19 mol 131 unq 0 iso 1 dist 6.85062 6.91348 6.19596 9.25558 5.09131 5.90177 8.70296 14.2045 9.93183 14.5627 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 6.85062 9.51418 6.6499 8.70296 14.2045 16.5048 9.25558 5.09131 5.70899 14.5627 numMergedOcc 0
21 mol 131 unq 1 iso 1 dist 6.85062 9.51418 6.6499 9.25558 5.09131 5.70899 8.70296 14.2045 16.5048 14.5627 numMergedOcc 0
22 mol 156 unq 0 iso 0 dist 8.34702 7.36119 11.787 7.30357 10.4977 11.9671 8.61587 12.4274 8.69711 6.12113 numMergedOcc 0
23 mol 156 unq 0 iso 1 dist 8.34702 7.36119 11.787 8.61587 12.4274 8.69711 7.30357 10.4977 11.9671 6.12113 numMergedOcc 0
24 mol 156 unq 1 iso 0 dist 7.44554 9.36805 6.29785 9.44367 5.4555 10.143 9.47433 11.9952 10.0003 16.7026 numMergedOcc 0
25 mol 156 unq 1 iso 1 dist 7.44554 9.36805 6.29785 9.47433 11.9952 10.0003 9.44367 5.4555 10.143 16.7026 numMergedOcc 0
26 mol 156 unq 2 iso 0 dist 9.06726 7.36119 7.71144 7.30357 12.3086 11.9671 8.61587 10.9151 8.69711 6.12113 numMergedOcc 0
27 mol 156 unq 2 iso 1 dist 9.06726 7.36119 7.71144 8.61587 10.9151 8.69711 7.30357 12.3086 11.9671 6.12113 numMergedOcc 0
28 mol 156 unq 3 iso 0 dist 8.33171 7.36119 9.22231 7.30357 7.79535 11.9671 8.61587 6.98125 8.69711 6.12113 numMergedOcc 0
29 mol 156 unq 3 iso 1 dist 8.33171 7.36119 9.22231 8.61587 6.98125 8.69711 7.30357 7.79535 11.9671 6.12113 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 5.98885 7.20046 5.4601 9.72611 5.6044 9.87435 7.99195 6.6251 4.69841 12.1167 numMergedOcc 0
31 mol 181 unq 0 iso 1 dist 5.98885 7.20046 5.4601 7.99195 6.6251 4.69841 9.72611 5.6044 9.87435 12.1167 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 5.98885 7.13543 10.0524 9.72611 5.6044 14.6648 7.99195 6.6251 7.23063 12.1167 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 5.98885 7.13543 10.0524 7.99195 6.6251 7.23063 9.72611 5.6044 14.6648 12.1167 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 9.09537 7.20046 6.14208 9.72611 12.9468 9.87435 7.99195 10.09 4.69841 12.1167 numMergedOcc 0
35 mol 181 unq 2 iso 1 dist 9.09537 7.20046 6.14208 7.99195 10.09 4.69841 9.72611 12.9468 9.87435 12.1167 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 9.09537 7.13543 5.95965 9.72611 12.9468 14.6648 7.99195 10.09 7.23063 12.1167 numMergedOcc 0
37 mol 181 unq 3 iso 1 dist 9.09537 7.13543 5.95965 7.99195 10.09 7.23063 9.72611 12.9468 14.6648 12.1167 numMergedOcc 0
38 mol 181 unq 4 iso 0 dist 7.63312 6.93764 4.80231 5.9176 5.63555 5.60306 6.41453 7.20191 6.05477 9.53592 numMergedOcc 0
39 mol 181 unq 4 iso 1 dist 7.63312 6.93764 4.80231 6.41453 7.20191 6.05477 5.9176 5.63555 5.60306 9.53592 numMergedOcc 0
40 mol 182 unq 0 iso 0 dist 9.31746 6.73313 11.1088 6.73956 7.68794 5.8726 7.09394 9.37404 10.7622 6.27728 numMergedOcc 0
41 mol 182 unq 0 iso 1 dist 9.31746 6.73313 11.1088 7.09394 9.37404 10.7622 6.73956 7.68794 5.8726 6.27728 numMergedOcc 0
42 mol 197 unq 0 iso 0 dist 8.56633 8.99696 9.82139 7.50013 8.46623 11.1666 5.81233 10.7305 13.3562 5.33623 numMergedOcc 0
43 mol 197 unq 0 iso 1 dist 8.56633 8.99696 9.82139 5.81233 10.7305 13.3562 7.50013 8.46623 11.1666 5.33623 numMergedOcc 0
44 mol 197 unq 1 iso 0 dist 8.56633 8.99696 9.82139 7.50013 8.46623 11.1666 6.92924 5.41996 4.59269 9.20574 numMergedOcc 0
45 mol 197 unq 1 iso 1 dist 8.56633 8.99696 9.82139 6.92924 5.41996 4.59269 7.50013 8.46623 11.1666 9.20574 numMergedOcc 0
46 mol 197 unq 2 iso 0 dist 8.56633 8.99696 9.82139 7.50013 8.46623 11.1666 7.14306 6.64537 12.9766 10.8407 numMergedOcc 0
47 mol 197 unq 2 iso 1 dist 8.56633 8.99696 9.82139 7.14306 6.64537 12.9766 7.50013 8.46623 11.1666 10.8407 numMergedOcc 0
48 mol 197 unq 1 iso 0 dist 8.56633 8.99696 9.82139 5.81233 10.7305 13.3562 6.92924 5.41996 4.59269 11.2132 numMergedOcc 0
49 mol 197 unq 1 iso 1 dist 8.56633 8.99696 9.82139 6.92924 5.41996 4.59269 5.81233 10.7305 13.3562 11.2132 numMergedOcc 0
50 mol 197 unq 2 iso 0 dist 8.56633 8.99696 9.82139 5.81233 10.7305 13.3562 7.14306 6.64537 12.9766 9.56047 numMergedOcc 0
51 mol 197 unq 2 iso 1 dist 8.56633 8.99696 9.82139 7.14306 6.64537 12.9766 5.81233 10.7305 13.3562 9.56047 numMergedOcc 0
52 mol 197 unq 2 iso 0 dist 8.56633 8.99696 9.82139 6.92924 5.41996 4.59269 7.14306 6.64537 12.9766 8.81358 numMergedOcc 0
53 mol 197 unq 2 iso 1 dist 8.56633 8.99696 9.82139 7.14306 6.64537 12.9766 6.92924 5.41996 4.59269 8.81358 numMergedOcc 0
54 mol 197 unq 3 iso 0 dist 8.56633 7.85058 8.72637 7.50013 8.46623 5.53129 5.81233 10.7305 4.38296 5.33623 numMergedOcc 0
55 mol 197 unq 3 iso 1 dist 8.56633 7.85058 8.72637 5.81233 10.7305 4.38296 7.50013 8.46623 5.53129 5.33623 numMergedOcc 0
56 mol 197 unq 4 iso 0 dist 8.56633 7.85058 8.72637 7.50013 8.46623 5.53129 6.92924 5.41996 11.3267 9.20574 numMergedOcc 0
57 mol 197 unq 4 iso 1 dist 8.56633 7.85058 8.72637 6.92924 5.41996 11.3267 7.50013 8.46623 5.53129 9.20574 numMergedOcc 0
58 mol 197 unq 5 iso 0 dist 8.56633 7.85058 8.72637 7.50013 8.46623 5.53129 7.14306 6.64537 8.05362 10.8407 numMergedOcc 0
59 mol 197 unq 5 iso 1 dist 8.56633 7.85058 8.72637 7.14306 6.64537 8.05362 7.50013 8.46623 5.53129 10.8407 numMergedOcc 0
60 mol 197 unq 4 iso 0 dist 8.56633 7.85058 8.72637 5.81233 10.7305 4.38296 6.92924 5.41996 11.3267 11.2132 numMergedOcc 0
61 mol 197 unq 4 iso 1 dist 8.56633 7.85058 8.72637 6.92924 5.41996 11.3267 5.81233 10.7305 4.38296 11.2132 numMergedOcc 0
62 mol 197 unq 5 iso 0 dist 8.56633 7.85058 8.72637 5.81233 10.7305 4.38296 7.14306 6.64537 8.05362 9.56047 numMergedOcc 0
63 mol 197 unq 5 iso 1 dist 8.56633 7.85058 8.72637 7.14306 6.64537 8.05362 5.81233 10.7305 4.38296 9.56047 numMergedOcc 0
64 mol 197 unq 5 iso 0 dist 8.56633 7.85058 8.72637 6.92924 5.41996 11.3267 7.14306 6.64537 8.05362 8.81358 numMergedOcc 0
65 mol 197 unq 5 iso 1 dist 8.56633 7.85058 8.72637 7.14306 6.64537 8.05362 6.92924 5.41996 11.3267 8.81358 numMergedOcc 0
66 mol 197 unq 6 iso 0 dist 8.56633 9.96638 5.69148 7.50013 8.46623 6.46195 5.81233 10.7305 11.0356 5.33623 numMergedOcc 0
67 mol 197 unq 6 iso 1 dist 8.56633 9.96638 5.69148 5.81233 10.7305 11.0356 7.50013 8.46623 6.46195 5.33623 numMergedOcc 0
68 mol 197 unq 7 iso 0 dist 8.56633 9.96638 5.69148 7.50013 8.46623 6.46195 6.92924 5.41996 6.31157 9.20574 numMergedOcc 0
69 mol 197 unq 7 iso 1 dist 8.56633 9.96638 5.69148 6.92924 5.41996 6.31157 7.50013 8.46623 6.46195 9.20574 numMergedOcc 0
70 mol 197 unq 8 iso 0 dist 8.56633 9.96638 5.69148 7.50013 8.46623 6.46195 7.14306 6.64537 11.5276 10.8407 numMergedOcc 0
71 mol 197 unq 8 iso 1 dist 8.56633 9.96638 5.69148 7.14306 6.64537 11.5276 7.50013 8.46623 6.46195 10.8407 numMergedOcc 0
72 mol 197 unq 7 iso 0 dist 8.56633 9.96638 5.69148 5.81233 10.7305 11.0356 6.92924 5.41996 6.31157 11.2132 numMergedOcc 0
73 mol 197 unq 7 iso 1 dist 8.56633 9.96638 5.69148 6.92924 5.41996 6.31157 5.81233 10.7305 11.0356 11.2132 numMergedOcc 0
74 mol 197 unq 8 iso 0 dist 8.56633 9.96638 5.69148 5.81233 10.7305 11.0356 7.14306 6.64537 11.5276 9.56047 numMergedOcc 0
75 mol 197 unq 8 iso 1 dist 8.56633 9.96638 5.69148 7.14306 6.64537 11.5276 5.81233 10.7305 11.0356 9.56047 numMergedOcc 0
76 mol 197 unq 8 iso 0 dist 8.56633 9.96638 5.69148 6.92924 5.41996 6.31157 7.14306 6.64537 11.5276 8.81358 numMergedOcc 0
77 mol 197 unq 8 iso 1 dist 8.56633 9.96638 5.69148 7.14306 6.64537 11.5276 6.92924 5.41996 6.31157 8.81358 numMergedOcc 0
78 mol 222 unq 0 iso 0 dist 8.01589 6.82208 4.8892 7.67576 10.3151 7.39748 9.82371 8.52017 5.08928 11.3283 numMergedOcc 0
79 mol 222 unq 0 iso 1 dist 8.01589 6.82208 4.8892 9.82371 8.52017 5.08928 7.67576 10.3151 7.39748 11.3283 numMergedOcc 0
80 mol 222 unq 1 iso 0 dist 7.7699 6.82208 11.0074 7.67576 7.81022 7.39748 9.82371 15.7504 5.08928 11.3283 numMergedOcc 0
81 mol 222 unq 1 iso 1 dist 7.7699 6.82208 11.0074 9.82371 15.7504 5.08928 7.67576 7.81022 7.39748 11.3283 numMergedOcc 0
82 mol 222 unq 2 iso 0 dist 7.21333 6.82208 12.2813 7.67576 7.75656 7.39748 9.82371 16.0949 5.08928 11.3283 numMergedOcc 0
83 mol 222 unq 2 iso 1 dist 7.21333 6.82208 12.2813 9.82371 16.0949 5.08928 7.67576 7.75656 7.39748 11.3283 numMergedOcc 0
84 mol 234 unq 0 iso 0 dist 8.41436 6.16063 11.3297 6.30154 7.44558 5.70413 7.32499 10.7902 7.17691 10.0708 numMergedOcc 0
85 mol 234 unq 0 iso 1 dist 8.41436 6.16063 11.3297 7.32499 10.7902 7.17691 6.30154 7.44558 5.70413 10.0708 numMergedOcc 0
86 mol 234 unq 1 iso 0 dist 8.92474 6.16063 10.2563 6.30154 10.9712 5.70413 7.32499 4.4288 7.17691 10.0708 numMergedOcc 0
87 mol 234 unq 1 iso 1 dist 8.92474 6.16063 10.2563 7.32499 4.4288 7.17691 6.30154 10.9712 5.70413 10.0708 numMergedOcc 0
