0 mol 26 unq 0 iso 0 dist 8.8533 10.1933 5.69955 14.1116 7.61055 9.87119 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.8533 11.9181 8.6385 14.1116 7.61055 4.74747 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 6.87744 10.4881 5.69955 6.23975 7.61055 9.87119 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 6.87744 10.4441 8.6385 6.23975 7.61055 4.74747 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 6.40398 10.9094 8.7817 10.1033 8.58568 10.8374 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 6.40398 11.8694 7.55415 10.1033 8.58568 7.95173 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 7.63006 10.119 8.16733 9.50524 5.18655 8.20144 numMergedOcc 0
7 mol 94 unq 1 iso 0 dist 7.63006 6.26149 9.97569 9.50524 5.18655 11.997 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 5.9819 4.9102 6.43433 10.4394 7.82011 6.72991 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 5.9819 6.84034 9.92283 10.4394 7.82011 8.57646 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 9.95454 6.5015 7.71426 7.76433 5.73148 8.08908 numMergedOcc 0
11 mol 171 unq 1 iso 0 dist 9.95454 6.1522 5.10618 7.76433 5.73148 6.05805 numMergedOcc 0
12 mol 171 unq 2 iso 0 dist 9.95454 16.1675 9.86681 7.76433 5.73148 8.83561 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 6.59729 10.2733 6.72641 4.34714 9.59034 10.5203 numMergedOcc 0
14 mol 189 unq 0 iso 0 dist 9.5853 5.56399 8.56355 14.9891 9.6013 10.3197 numMergedOcc 0
15 mol 189 unq 1 iso 0 dist 9.5853 5.56399 8.56355 15.4181 8.32712 11.3081 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 8.22643 4.98231 6.60567 14.4982 9.79691 13.6975 numMergedOcc 0
17 mol 195 unq 1 iso 0 dist 8.22643 13.577 7.62942 14.4982 9.79691 6.08211 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 5.33789 9.81415 9.18635 11.3414 8.15936 5.72073 numMergedOcc 0
19 mol 198 unq 1 iso 0 dist 5.33789 9.81415 9.18635 11.6406 8.16598 9.94078 numMergedOcc 0
20 mol 198 unq 2 iso 0 dist 5.33789 5.21925 8.10985 11.3414 8.15936 12.2117 numMergedOcc 0
21 mol 198 unq 3 iso 0 dist 5.33789 5.21925 8.10985 11.6406 8.16598 10.8191 numMergedOcc 0
22 mol 198 unq 4 iso 0 dist 7.27215 6.05803 9.18635 9.61596 8.15936 5.72073 numMergedOcc 0
23 mol 198 unq 5 iso 0 dist 7.27215 6.05803 9.18635 12.7168 8.16598 9.94078 numMergedOcc 0
24 mol 198 unq 6 iso 0 dist 7.27215 10.854 8.10985 9.61596 8.15936 12.2117 numMergedOcc 0
25 mol 198 unq 7 iso 0 dist 7.27215 10.854 8.10985 12.7168 8.16598 10.8191 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 9.88251 14.4147 8.44861 8.36623 5.42696 8.66809 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 9.88251 13.9684 5.60393 8.36623 5.42696 6.23291 numMergedOcc 0
28 mol 230 unq 0 iso 0 dist 6.47064 10.7614 9.09271 10.353 8.85215 11.2344 numMergedOcc 0
29 mol 230 unq 1 iso 0 dist 6.47064 11.777 7.44838 10.353 8.85215 8.44099 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 5.5826 11.1632 6.66971 6.3161 9.42618 13.0842 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 5.5826 11.0996 6.4398 6.3161 9.42618 15.3074 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 5.5826 5.18833 7.32982 6.3161 9.42618 8.85181 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 8.74485 6.80725 8.67805 6.95257 7.18771 10.0774 numMergedOcc 0
34 mol 239 unq 1 iso 0 dist 8.74485 6.80725 8.67805 9.98418 7.94894 9.8202 numMergedOcc 0
35 mol 240 unq 0 iso 0 dist 5.46783 14.5429 9.47583 12.0688 8.33853 10.7371 numMergedOcc 0
36 mol 240 unq 1 iso 0 dist 5.46783 14.5429 9.47583 5.53988 5.66537 13.9225 numMergedOcc 0
37 mol 240 unq 2 iso 0 dist 5.46783 13.8996 8.44909 12.0688 8.33853 7.75407 numMergedOcc 0
38 mol 240 unq 3 iso 0 dist 5.46783 13.8996 8.44909 5.53988 5.66537 12.076 numMergedOcc 0
39 mol 248 unq 0 iso 0 dist 9.97871 5.8982 6.17052 10.6288 8.53148 6.48757 numMergedOcc 0
40 mol 248 unq 1 iso 0 dist 9.97871 6.17735 9.77666 10.6288 8.53148 5.51827 numMergedOcc 0
41 mol 248 unq 2 iso 0 dist 9.08064 7.63032 6.17052 10.2858 8.53148 6.48757 numMergedOcc 0
42 mol 248 unq 3 iso 0 dist 9.08064 6.42334 9.77666 10.2858 8.53148 5.51827 numMergedOcc 0
43 mol 252 unq 0 iso 0 dist 8.62351 6.79111 8.47784 7.02444 5.2361 4.23801 numMergedOcc 0
44 mol 252 unq 1 iso 0 dist 8.62351 6.79111 8.47784 13.7396 5.57515 13.6996 numMergedOcc 0
45 mol 252 unq 2 iso 0 dist 8.62351 6.79111 8.47784 14.6186 8.28694 15.4395 numMergedOcc 0
46 mol 252 unq 3 iso 0 dist 8.62351 14.2609 8.66469 7.02444 5.2361 9.12442 numMergedOcc 0
47 mol 252 unq 4 iso 0 dist 8.62351 14.2609 8.66469 13.7396 5.57515 7.35945 numMergedOcc 0
48 mol 252 unq 5 iso 0 dist 8.62351 14.2609 8.66469 14.6186 8.28694 5.26003 numMergedOcc 0
49 mol 252 unq 6 iso 0 dist 9.44744 11.8815 6.11473 8.26489 6.57207 4.23801 numMergedOcc 0
50 mol 252 unq 7 iso 0 dist 6.94319 11.8815 8.47784 8.26489 5.2361 4.23801 numMergedOcc 0
51 mol 252 unq 8 iso 0 dist 6.94319 11.8815 8.47784 5.76518 5.57515 13.6996 numMergedOcc 0
52 mol 252 unq 9 iso 0 dist 6.94319 11.8815 8.47784 7.48536 8.28694 15.4395 numMergedOcc 0
53 mol 252 unq 10 iso 0 dist 6.94319 5.29359 8.66469 8.26489 5.2361 9.12442 numMergedOcc 0
54 mol 252 unq 11 iso 0 dist 6.94319 5.29359 8.66469 5.76518 5.57515 7.35945 numMergedOcc 0
55 mol 252 unq 12 iso 0 dist 6.94319 5.29359 8.66469 7.48536 8.28694 5.26003 numMergedOcc 0
56 mol 261 unq 0 iso 0 dist 5.67349 4.63237 5.26434 9.66751 9.24121 7.49174 numMergedOcc 0
57 mol 261 unq 1 iso 0 dist 5.67349 6.39263 8.60026 9.66751 9.24121 5.22253 numMergedOcc 0
58 mol 272 unq 0 iso 0 dist 9.00781 9.92738 9.05222 5.34124 7.35433 5.7074 numMergedOcc 0
