0 mol 11 unq 0 iso 0 dist 6.27964 6.82612 5.8689 5.37263 9.36555 10.9407 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 5.8689 6.82612 6.27964 10.9407 9.36555 5.37263 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 9.86138 9.77151 5.76006 7.41387 6.65398 6.5386 numMergedOcc 0
3 mol 12 unq 0 iso 1 dist 5.76006 9.77151 9.86138 6.5386 6.65398 7.41387 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 9.86138 9.77151 5.76006 13.1993 5.9021 5.77108 numMergedOcc 0
5 mol 12 unq 1 iso 1 dist 5.76006 9.77151 9.86138 5.77108 5.9021 13.1993 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 8.02004 10.2386 6.35042 13.2553 6.04551 5.28841 numMergedOcc 0
7 mol 48 unq 0 iso 1 dist 6.35042 10.2386 8.02004 5.28841 6.04551 13.2553 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 7.77714 10.6687 6.46118 13.11 6.01454 4.99432 numMergedOcc 0
9 mol 48 unq 1 iso 1 dist 6.46118 10.6687 7.77714 4.99432 6.01454 13.11 numMergedOcc 0
10 mol 55 unq 0 iso 0 dist 6.71884 15.4294 9.25575 4.13365 9.30367 18.5033 numMergedOcc 0
11 mol 55 unq 0 iso 1 dist 9.25575 15.4294 6.71884 18.5033 9.30367 4.13365 numMergedOcc 0
12 mol 55 unq 1 iso 0 dist 6.71884 15.4294 9.25575 12.3731 6.67079 6.59267 numMergedOcc 0
13 mol 55 unq 1 iso 1 dist 9.25575 15.4294 6.71884 6.59267 6.67079 12.3731 numMergedOcc 0
14 mol 55 unq 2 iso 0 dist 7.8855 12.6714 8.29508 13.969 7.14636 10.1034 numMergedOcc 0
15 mol 55 unq 2 iso 1 dist 8.29508 12.6714 7.8855 10.1034 7.14636 13.969 numMergedOcc 0
16 mol 55 unq 3 iso 0 dist 7.8855 12.6714 8.29508 13.1121 9.53303 5.48883 numMergedOcc 0
17 mol 55 unq 3 iso 1 dist 8.29508 12.6714 7.8855 5.48883 9.53303 13.1121 numMergedOcc 0
18 mol 108 unq 0 iso 0 dist 6.29966 9.36195 9.31725 11.6785 9.32474 18.4744 numMergedOcc 0
19 mol 108 unq 0 iso 1 dist 9.31725 9.36195 6.29966 18.4744 9.32474 11.6785 numMergedOcc 0
20 mol 108 unq 1 iso 0 dist 6.29966 7.73752 9.57358 11.6785 9.32474 17.9911 numMergedOcc 0
21 mol 108 unq 1 iso 1 dist 9.57358 7.73752 6.29966 17.9911 9.32474 11.6785 numMergedOcc 0
22 mol 108 unq 2 iso 0 dist 6.29966 5.73135 5.38329 11.6785 9.32474 8.02422 numMergedOcc 0
23 mol 108 unq 2 iso 1 dist 5.38329 5.73135 6.29966 8.02422 9.32474 11.6785 numMergedOcc 0
24 mol 108 unq 1 iso 0 dist 9.31725 4.32759 9.57358 18.4744 9.32474 17.9911 numMergedOcc 0
25 mol 108 unq 1 iso 1 dist 9.57358 4.32759 9.31725 17.9911 9.32474 18.4744 numMergedOcc 0
26 mol 108 unq 2 iso 0 dist 9.31725 12.5027 5.38329 18.4744 9.32474 8.02422 numMergedOcc 0
27 mol 108 unq 2 iso 1 dist 5.38329 12.5027 9.31725 8.02422 9.32474 18.4744 numMergedOcc 0
28 mol 108 unq 2 iso 0 dist 9.57358 10.7754 5.38329 17.9911 9.32474 8.02422 numMergedOcc 0
29 mol 108 unq 2 iso 1 dist 5.38329 10.7754 9.57358 8.02422 9.32474 17.9911 numMergedOcc 0
30 mol 178 unq 0 iso 0 dist 9.56963 5.66064 5.95885 7.45885 8.14441 6.49969 numMergedOcc 0
31 mol 178 unq 0 iso 1 dist 5.95885 5.66064 9.56963 6.49969 8.14441 7.45885 numMergedOcc 0
32 mol 184 unq 0 iso 0 dist 8.57284 7.47996 5.34832 9.73725 9.45847 12.6902 numMergedOcc 0
33 mol 184 unq 0 iso 1 dist 5.34832 7.47996 8.57284 12.6902 9.45847 9.73725 numMergedOcc 0
34 mol 192 unq 0 iso 0 dist 8.3311 11.4395 7.74423 13.2828 7.30965 4.2039 numMergedOcc 0
35 mol 192 unq 0 iso 1 dist 7.74423 11.4395 8.3311 4.2039 7.30965 13.2828 numMergedOcc 0
36 mol 220 unq 0 iso 0 dist 8.98518 10.2388 9.3888 9.07015 8.98362 5.58779 numMergedOcc 0
37 mol 220 unq 0 iso 1 dist 9.3888 10.2388 8.98518 5.58779 8.98362 9.07015 numMergedOcc 0
38 mol 257 unq 0 iso 0 dist 8.42116 4.45719 8.53984 15.8732 8.98346 14.5073 numMergedOcc 0
39 mol 257 unq 0 iso 1 dist 8.53984 4.45719 8.42116 14.5073 8.98346 15.8732 numMergedOcc 0
40 mol 264 unq 0 iso 0 dist 9.23807 14.8445 8.49619 11.8473 7.61232 9.06135 numMergedOcc 0
41 mol 264 unq 0 iso 1 dist 8.49619 14.8445 9.23807 9.06135 7.61232 11.8473 numMergedOcc 0
42 mol 266 unq 0 iso 0 dist 6.55208 4.34107 7.17562 7.94063 9.77392 11.4849 numMergedOcc 0
43 mol 266 unq 0 iso 1 dist 7.17562 4.34107 6.55208 11.4849 9.77392 7.94063 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 4.28058 7.42275 9.59064 4.76371 4.49185 11.7948 numMergedOcc 0
45 mol 287 unq 0 iso 1 dist 9.59064 7.42275 4.28058 11.7948 4.49185 4.76371 numMergedOcc 0
46 mol 287 unq 1 iso 0 dist 4.28058 7.42275 9.59064 4.71587 7.22938 9.62561 numMergedOcc 0
47 mol 287 unq 1 iso 1 dist 9.59064 7.42275 4.28058 9.62561 7.22938 4.71587 numMergedOcc 0
48 mol 287 unq 2 iso 0 dist 4.28058 7.42275 9.59064 6.95569 9.94176 5.94079 numMergedOcc 0
49 mol 287 unq 2 iso 1 dist 9.59064 7.42275 4.28058 5.94079 9.94176 6.95569 numMergedOcc 0
50 mol 288 unq 0 iso 0 dist 4.28058 7.42275 9.59064 4.76371 4.49185 11.7948 numMergedOcc 0
51 mol 288 unq 0 iso 1 dist 9.59064 7.42275 4.28058 11.7948 4.49185 4.76371 numMergedOcc 0
52 mol 288 unq 1 iso 0 dist 4.28058 7.42275 9.59064 4.71587 7.22938 9.62561 numMergedOcc 0
53 mol 288 unq 1 iso 1 dist 9.59064 7.42275 4.28058 9.62561 7.22938 4.71587 numMergedOcc 0
54 mol 288 unq 2 iso 0 dist 4.28058 7.42275 9.59064 6.95569 9.94176 5.94079 numMergedOcc 0
55 mol 288 unq 2 iso 1 dist 9.59064 7.42275 4.28058 5.94079 9.94176 6.95569 numMergedOcc 0
56 mol 289 unq 0 iso 0 dist 4.28058 7.42275 9.59064 4.76371 4.49185 11.7948 numMergedOcc 0
57 mol 289 unq 0 iso 1 dist 9.59064 7.42275 4.28058 11.7948 4.49185 4.76371 numMergedOcc 0
58 mol 289 unq 1 iso 0 dist 4.28058 7.42275 9.59064 4.71587 7.22938 9.62561 numMergedOcc 0
59 mol 289 unq 1 iso 1 dist 9.59064 7.42275 4.28058 9.62561 7.22938 4.71587 numMergedOcc 0
60 mol 289 unq 2 iso 0 dist 4.28058 7.42275 9.59064 6.95569 9.94176 5.94079 numMergedOcc 0
61 mol 289 unq 2 iso 1 dist 9.59064 7.42275 4.28058 5.94079 9.94176 6.95569 numMergedOcc 0
