0 mol 48 unq 0 iso 0 dist 8.02004 10.2386 6.35042 13.2553 6.04551 5.28841 5.30529 9.07969 9.66291 13.0891 numMergedOcc 0
1 mol 48 unq 0 iso 1 dist 6.35042 10.2386 8.02004 5.28841 6.04551 13.2553 9.66291 9.07969 5.30529 13.0891 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.02004 10.2386 6.35042 13.2553 6.04551 5.28841 6.60498 9.61448 11.8666 14.1866 numMergedOcc 0
3 mol 48 unq 1 iso 1 dist 6.35042 10.2386 8.02004 5.28841 6.04551 13.2553 11.8666 9.61448 6.60498 14.1866 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.77714 10.6687 6.46118 13.11 6.01454 4.99432 5.41436 8.94842 9.58119 12.665 numMergedOcc 0
5 mol 48 unq 2 iso 1 dist 6.46118 10.6687 7.77714 4.99432 6.01454 13.11 9.58119 8.94842 5.41436 12.665 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 7.77714 10.6687 6.46118 13.11 6.01454 4.99432 6.53592 9.9555 12.1293 14.1985 numMergedOcc 0
7 mol 48 unq 3 iso 1 dist 6.46118 10.6687 7.77714 4.99432 6.01454 13.11 12.1293 9.9555 6.53592 14.1985 numMergedOcc 0
8 mol 55 unq 0 iso 0 dist 7.8855 12.6714 8.29508 13.969 7.14636 10.1034 14.7786 9.29917 4.04212 7.92329 numMergedOcc 0
9 mol 55 unq 0 iso 1 dist 8.29508 12.6714 7.8855 10.1034 7.14636 13.969 4.04212 9.29917 14.7786 7.92329 numMergedOcc 0
10 mol 55 unq 1 iso 0 dist 7.8855 12.6714 8.29508 13.1121 9.53303 5.48883 14.7786 9.29917 4.04212 3.98875 numMergedOcc 0
11 mol 55 unq 1 iso 1 dist 8.29508 12.6714 7.8855 5.48883 9.53303 13.1121 4.04212 9.29917 14.7786 3.98875 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 9.56963 5.66064 5.95885 7.45885 8.14441 6.49969 10.5487 7.97 5.33003 7.91652 numMergedOcc 0
13 mol 178 unq 0 iso 1 dist 5.95885 5.66064 9.56963 6.49969 8.14441 7.45885 5.33003 7.97 10.5487 7.91652 numMergedOcc 0
14 mol 178 unq 1 iso 0 dist 9.56963 5.66064 5.95885 7.45885 8.14441 6.49969 12.7394 6.95432 7.25161 11.8474 numMergedOcc 0
15 mol 178 unq 1 iso 1 dist 5.95885 5.66064 9.56963 6.49969 8.14441 7.45885 7.25161 6.95432 12.7394 11.8474 numMergedOcc 0
16 mol 178 unq 2 iso 0 dist 9.56963 5.66064 5.95885 7.45885 8.14441 6.49969 12.1851 9.32853 8.62728 5.71 numMergedOcc 0
17 mol 178 unq 2 iso 1 dist 5.95885 5.66064 9.56963 6.49969 8.14441 7.45885 8.62728 9.32853 12.1851 5.71 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 8.57284 7.47996 5.34832 9.73725 9.45847 12.6902 10.2602 9.16535 4.06422 16.6018 numMergedOcc 0
19 mol 184 unq 0 iso 1 dist 5.34832 7.47996 8.57284 12.6902 9.45847 9.73725 4.06422 9.16535 10.2602 16.6018 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 8.3311 11.4395 7.74423 13.2828 7.30965 4.2039 6.3479 7.578 10.6544 12.8803 numMergedOcc 0
21 mol 192 unq 0 iso 1 dist 7.74423 11.4395 8.3311 4.2039 7.30965 13.2828 10.6544 7.578 6.3479 12.8803 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 8.98518 10.2388 9.3888 9.07015 8.98362 5.58779 6.77896 9.21416 4.00152 4.606 numMergedOcc 0
23 mol 220 unq 0 iso 1 dist 9.3888 10.2388 8.98518 5.58779 8.98362 9.07015 4.00152 9.21416 6.77896 4.606 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 8.42116 4.45719 8.53984 15.8732 8.98346 14.5073 3.84196 5.81865 5.95711 12.6474 numMergedOcc 0
25 mol 257 unq 0 iso 1 dist 8.53984 4.45719 8.42116 14.5073 8.98346 15.8732 5.95711 5.81865 3.84196 12.6474 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 4.28058 7.42275 9.59064 4.76371 4.49185 11.7948 8.93497 9.94851 13.3978 10.6613 numMergedOcc 0
27 mol 287 unq 0 iso 1 dist 9.59064 7.42275 4.28058 11.7948 4.49185 4.76371 13.3978 9.94851 8.93497 10.6613 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 4.28058 7.42275 9.59064 4.71587 7.22938 9.62561 8.93497 9.94851 13.3978 12.7859 numMergedOcc 0
29 mol 287 unq 1 iso 1 dist 9.59064 7.42275 4.28058 9.62561 7.22938 4.71587 13.3978 9.94851 8.93497 12.7859 numMergedOcc 0
30 mol 287 unq 2 iso 0 dist 4.28058 7.42275 9.59064 6.95569 9.94176 5.94079 8.93497 9.94851 13.3978 15.0697 numMergedOcc 0
31 mol 287 unq 2 iso 1 dist 9.59064 7.42275 4.28058 5.94079 9.94176 6.95569 13.3978 9.94851 8.93497 15.0697 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 4.28058 7.42275 9.59064 4.76371 4.49185 11.7948 8.93497 9.94851 13.3978 10.6613 numMergedOcc 0
33 mol 288 unq 0 iso 1 dist 9.59064 7.42275 4.28058 11.7948 4.49185 4.76371 13.3978 9.94851 8.93497 10.6613 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 4.28058 7.42275 9.59064 4.71587 7.22938 9.62561 8.93497 9.94851 13.3978 12.7859 numMergedOcc 0
35 mol 288 unq 1 iso 1 dist 9.59064 7.42275 4.28058 9.62561 7.22938 4.71587 13.3978 9.94851 8.93497 12.7859 numMergedOcc 0
36 mol 288 unq 2 iso 0 dist 4.28058 7.42275 9.59064 6.95569 9.94176 5.94079 8.93497 9.94851 13.3978 15.0697 numMergedOcc 0
37 mol 288 unq 2 iso 1 dist 9.59064 7.42275 4.28058 5.94079 9.94176 6.95569 13.3978 9.94851 8.93497 15.0697 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 4.28058 7.42275 9.59064 4.76371 4.49185 11.7948 8.93497 9.94851 13.3978 10.6613 numMergedOcc 0
39 mol 289 unq 0 iso 1 dist 9.59064 7.42275 4.28058 11.7948 4.49185 4.76371 13.3978 9.94851 8.93497 10.6613 numMergedOcc 0
40 mol 289 unq 1 iso 0 dist 4.28058 7.42275 9.59064 4.71587 7.22938 9.62561 8.93497 9.94851 13.3978 12.7859 numMergedOcc 0
41 mol 289 unq 1 iso 1 dist 9.59064 7.42275 4.28058 9.62561 7.22938 4.71587 13.3978 9.94851 8.93497 12.7859 numMergedOcc 0
42 mol 289 unq 2 iso 0 dist 4.28058 7.42275 9.59064 6.95569 9.94176 5.94079 8.93497 9.94851 13.3978 15.0697 numMergedOcc 0
43 mol 289 unq 2 iso 1 dist 9.59064 7.42275 4.28058 5.94079 9.94176 6.95569 13.3978 9.94851 8.93497 15.0697 numMergedOcc 0
