0 mol 26 unq 0 iso 0 dist 8.8533 10.1933 5.69955 11.9181 8.6385 9.78225 14.1116 7.61055 9.87119 4.74747 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 8.8533 11.9181 8.6385 10.1933 5.69955 9.78225 14.1116 7.61055 4.74747 9.87119 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.87744 10.4881 5.69955 10.4441 8.6385 9.78225 6.23975 7.61055 9.87119 4.74747 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 6.87744 10.4441 8.6385 10.4881 5.69955 9.78225 6.23975 7.61055 4.74747 9.87119 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 6.40398 10.9094 8.7817 11.8694 7.55415 5.26258 10.1033 8.58568 10.8374 7.95173 numMergedOcc 0
5 mol 30 unq 0 iso 1 dist 6.40398 11.8694 7.55415 10.9094 8.7817 5.26258 10.1033 8.58568 7.95173 10.8374 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 7.63006 10.119 8.16733 6.26149 9.97569 7.49897 9.50524 5.18655 8.20144 11.997 numMergedOcc 0
7 mol 94 unq 0 iso 1 dist 7.63006 6.26149 9.97569 10.119 8.16733 7.49897 9.50524 5.18655 11.997 8.20144 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 5.9819 4.9102 6.43433 6.84034 9.92283 5.0812 10.4394 7.82011 6.72991 8.57646 numMergedOcc 0
9 mol 112 unq 0 iso 1 dist 5.9819 6.84034 9.92283 4.9102 6.43433 5.0812 10.4394 7.82011 8.57646 6.72991 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 9.95454 6.5015 7.71426 6.1522 5.10618 7.31409 7.76433 5.73148 8.08908 6.05805 numMergedOcc 0
11 mol 171 unq 0 iso 1 dist 9.95454 6.1522 5.10618 6.5015 7.71426 7.31409 7.76433 5.73148 6.05805 8.08908 numMergedOcc 0
12 mol 171 unq 1 iso 0 dist 9.95454 6.5015 7.71426 16.1675 9.86681 13.6814 7.76433 5.73148 8.08908 8.83561 numMergedOcc 0
13 mol 171 unq 1 iso 1 dist 9.95454 16.1675 9.86681 6.5015 7.71426 13.6814 7.76433 5.73148 8.83561 8.08908 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 9.95454 6.1522 5.10618 16.1675 9.86681 13.7214 7.76433 5.73148 6.05805 8.83561 numMergedOcc 0
15 mol 171 unq 1 iso 1 dist 9.95454 16.1675 9.86681 6.1522 5.10618 13.7214 7.76433 5.73148 8.83561 6.05805 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 8.22643 4.98231 6.60567 13.577 7.62942 10.7531 14.4982 9.79691 13.6975 6.08211 numMergedOcc 0
17 mol 195 unq 0 iso 1 dist 8.22643 13.577 7.62942 4.98231 6.60567 10.7531 14.4982 9.79691 6.08211 13.6975 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 5.33789 9.81415 9.18635 5.21925 8.10985 11.6493 11.3414 8.15936 5.72073 12.2117 numMergedOcc 0
19 mol 198 unq 0 iso 1 dist 5.33789 5.21925 8.10985 9.81415 9.18635 11.6493 11.3414 8.15936 12.2117 5.72073 numMergedOcc 0
20 mol 198 unq 1 iso 0 dist 5.33789 9.81415 9.18635 5.21925 8.10985 11.6493 11.6406 8.16598 9.94078 10.8191 numMergedOcc 0
21 mol 198 unq 1 iso 1 dist 5.33789 5.21925 8.10985 9.81415 9.18635 11.6493 11.6406 8.16598 10.8191 9.94078 numMergedOcc 0
22 mol 198 unq 2 iso 0 dist 7.27215 6.05803 9.18635 10.854 8.10985 11.6493 9.61596 8.15936 5.72073 12.2117 numMergedOcc 0
23 mol 198 unq 2 iso 1 dist 7.27215 10.854 8.10985 6.05803 9.18635 11.6493 9.61596 8.15936 12.2117 5.72073 numMergedOcc 0
24 mol 198 unq 3 iso 0 dist 7.27215 6.05803 9.18635 10.854 8.10985 11.6493 12.7168 8.16598 9.94078 10.8191 numMergedOcc 0
25 mol 198 unq 3 iso 1 dist 7.27215 10.854 8.10985 6.05803 9.18635 11.6493 12.7168 8.16598 10.8191 9.94078 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 9.88251 14.4147 8.44861 13.9684 5.60393 7.38516 8.36623 5.42696 8.66809 6.23291 numMergedOcc 0
27 mol 205 unq 0 iso 1 dist 9.88251 13.9684 5.60393 14.4147 8.44861 7.38516 8.36623 5.42696 6.23291 8.66809 numMergedOcc 0
28 mol 230 unq 0 iso 0 dist 6.47064 10.7614 9.09271 11.777 7.44838 5.53477 10.353 8.85215 11.2344 8.44099 numMergedOcc 0
29 mol 230 unq 0 iso 1 dist 6.47064 11.777 7.44838 10.7614 9.09271 5.53477 10.353 8.85215 8.44099 11.2344 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 5.5826 11.1632 6.66971 11.0996 6.4398 5.40359 6.3161 9.42618 13.0842 15.3074 numMergedOcc 0
31 mol 238 unq 0 iso 1 dist 5.5826 11.0996 6.4398 11.1632 6.66971 5.40359 6.3161 9.42618 15.3074 13.0842 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 5.5826 11.1632 6.66971 5.18833 7.32982 10.0191 6.3161 9.42618 13.0842 8.85181 numMergedOcc 0
33 mol 238 unq 1 iso 1 dist 5.5826 5.18833 7.32982 11.1632 6.66971 10.0191 6.3161 9.42618 8.85181 13.0842 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 5.5826 11.0996 6.4398 5.18833 7.32982 10.1648 6.3161 9.42618 15.3074 8.85181 numMergedOcc 0
35 mol 238 unq 1 iso 1 dist 5.5826 5.18833 7.32982 11.0996 6.4398 10.1648 6.3161 9.42618 8.85181 15.3074 numMergedOcc 0
36 mol 240 unq 0 iso 0 dist 5.46783 14.5429 9.47583 13.8996 8.44909 4.28414 12.0688 8.33853 10.7371 7.75407 numMergedOcc 0
37 mol 240 unq 0 iso 1 dist 5.46783 13.8996 8.44909 14.5429 9.47583 4.28414 12.0688 8.33853 7.75407 10.7371 numMergedOcc 0
38 mol 240 unq 1 iso 0 dist 5.46783 14.5429 9.47583 13.8996 8.44909 4.28414 5.53988 5.66537 13.9225 12.076 numMergedOcc 0
39 mol 240 unq 1 iso 1 dist 5.46783 13.8996 8.44909 14.5429 9.47583 4.28414 5.53988 5.66537 12.076 13.9225 numMergedOcc 0
40 mol 248 unq 0 iso 0 dist 9.97871 5.8982 6.17052 6.17735 9.77666 5.55137 10.6288 8.53148 6.48757 5.51827 numMergedOcc 0
41 mol 248 unq 0 iso 1 dist 9.97871 6.17735 9.77666 5.8982 6.17052 5.55137 10.6288 8.53148 5.51827 6.48757 numMergedOcc 0
42 mol 248 unq 1 iso 0 dist 9.08064 7.63032 6.17052 6.42334 9.77666 5.55137 10.2858 8.53148 6.48757 5.51827 numMergedOcc 0
43 mol 248 unq 1 iso 1 dist 9.08064 6.42334 9.77666 7.63032 6.17052 5.55137 10.2858 8.53148 5.51827 6.48757 numMergedOcc 0
44 mol 252 unq 0 iso 0 dist 8.62351 6.79111 8.47784 14.2609 8.66469 13.2361 7.02444 5.2361 4.23801 9.12442 numMergedOcc 0
45 mol 252 unq 0 iso 1 dist 8.62351 14.2609 8.66469 6.79111 8.47784 13.2361 7.02444 5.2361 9.12442 4.23801 numMergedOcc 0
46 mol 252 unq 1 iso 0 dist 8.62351 6.79111 8.47784 14.2609 8.66469 13.2361 13.7396 5.57515 13.6996 7.35945 numMergedOcc 0
47 mol 252 unq 1 iso 1 dist 8.62351 14.2609 8.66469 6.79111 8.47784 13.2361 13.7396 5.57515 7.35945 13.6996 numMergedOcc 0
48 mol 252 unq 2 iso 0 dist 8.62351 6.79111 8.47784 14.2609 8.66469 13.2361 14.6186 8.28694 15.4395 5.26003 numMergedOcc 0
49 mol 252 unq 2 iso 1 dist 8.62351 14.2609 8.66469 6.79111 8.47784 13.2361 14.6186 8.28694 5.26003 15.4395 numMergedOcc 0
50 mol 252 unq 3 iso 0 dist 6.94319 11.8815 8.47784 5.29359 8.66469 13.2361 8.26489 5.2361 4.23801 9.12442 numMergedOcc 0
51 mol 252 unq 3 iso 1 dist 6.94319 5.29359 8.66469 11.8815 8.47784 13.2361 8.26489 5.2361 9.12442 4.23801 numMergedOcc 0
52 mol 252 unq 4 iso 0 dist 6.94319 11.8815 8.47784 5.29359 8.66469 13.2361 5.76518 5.57515 13.6996 7.35945 numMergedOcc 0
53 mol 252 unq 4 iso 1 dist 6.94319 5.29359 8.66469 11.8815 8.47784 13.2361 5.76518 5.57515 7.35945 13.6996 numMergedOcc 0
54 mol 252 unq 5 iso 0 dist 6.94319 11.8815 8.47784 5.29359 8.66469 13.2361 7.48536 8.28694 15.4395 5.26003 numMergedOcc 0
55 mol 252 unq 5 iso 1 dist 6.94319 5.29359 8.66469 11.8815 8.47784 13.2361 7.48536 8.28694 5.26003 15.4395 numMergedOcc 0
56 mol 261 unq 0 iso 0 dist 5.67349 4.63237 5.26434 6.39263 8.60026 7.00201 9.66751 9.24121 7.49174 5.22253 numMergedOcc 0
57 mol 261 unq 0 iso 1 dist 5.67349 6.39263 8.60026 4.63237 5.26434 7.00201 9.66751 9.24121 5.22253 7.49174 numMergedOcc 0
