0 mol 25 unq 0 iso 0 dist 8.27137 5.59268 4.79873 13.4236 12.7147 9.48085 16.046 12.3944 10.9391 9.49421 numMergedOcc 0
1 mol 78 unq 0 iso 0 dist 5.85007 7.17843 5.77326 7.32064 8.2592 6.85523 13.1649 12.35 7.19663 8.65848 numMergedOcc 0
2 mol 78 unq 1 iso 0 dist 6.35234 4.4651 5.77326 4.62314 8.2592 6.85523 9.31889 12.35 7.19663 8.65848 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 7.55644 6.46605 6.53308 12.2036 7.04263 7.47974 13.679 13.0722 9.1532 8.40422 numMergedOcc 0
4 mol 89 unq 1 iso 0 dist 7.55644 6.46605 6.53308 12.2036 7.04263 7.47974 10.2368 10.7697 4.8812 8.40425 numMergedOcc 0
5 mol 89 unq 2 iso 0 dist 7.55644 6.46605 6.53308 12.2036 7.04263 7.47974 16.1373 12.3442 10.4087 5.51831 numMergedOcc 0
6 mol 89 unq 3 iso 0 dist 7.55644 6.46605 6.53308 12.2036 7.04263 7.47974 17.031 15.1929 10.8948 9.65149 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.70292 5.69671 8.57395 12.0576 11.734 8.27883 8.63033 14.2618 6.59884 7.7152 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.59704 5.69671 9.85409 12.0576 17.4304 8.27883 8.63033 15.9129 6.59884 7.7152 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.33961 12.7318 7.54889 10.5543 6.70343 5.2571 12.3919 9.81956 8.40073 5.10496 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.33961 12.7318 7.54889 10.5543 6.70343 5.2571 13.8659 10.8223 9.42358 5.92242 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 5.33961 12.7318 7.54889 10.5543 6.70343 5.2571 12.3835 7.78931 5.02887 8.7497 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 5.33961 12.3835 7.78931 10.5543 6.70343 8.7497 12.3919 9.81956 10.2427 5.10496 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 5.33961 12.3835 7.78931 10.5543 6.70343 8.7497 13.8659 10.8223 13.9786 5.92242 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 5.33961 12.3835 7.78931 10.5543 6.70343 8.7497 12.7318 7.54889 5.02887 5.2571 numMergedOcc 0
15 mol 98 unq 6 iso 0 dist 8.3505 11.3628 5.2571 14.2657 6.70343 7.54889 22.4143 14.0897 13.659 9.64383 numMergedOcc 0
16 mol 98 unq 7 iso 0 dist 8.3505 11.3628 5.2571 14.2657 6.70343 7.54889 13.9599 8.7497 5.02887 7.78931 numMergedOcc 0
17 mol 98 unq 8 iso 0 dist 8.3505 13.9599 8.7497 14.2657 6.70343 7.78931 22.4143 14.0897 14.591 9.64383 numMergedOcc 0
18 mol 98 unq 9 iso 0 dist 8.3505 13.9599 8.7497 14.2657 6.70343 7.78931 11.3628 5.2571 5.02887 7.54889 numMergedOcc 0
19 mol 98 unq 10 iso 0 dist 7.34638 10.4417 7.02507 8.3505 9.6331 5.92242 4.75138 9.89095 9.51923 5.10496 numMergedOcc 0
20 mol 98 unq 11 iso 0 dist 7.34638 10.4417 7.02507 8.3505 9.6331 5.92242 11.3628 12.7417 9.42358 5.2571 numMergedOcc 0
21 mol 98 unq 12 iso 0 dist 7.34638 10.4417 7.02507 8.3505 9.6331 5.92242 13.9599 17.1287 13.9786 8.7497 numMergedOcc 0
22 mol 98 unq 13 iso 0 dist 6.0995 9.63267 7.02507 8.32269 9.6331 5.92242 6.88489 9.89095 9.51923 5.10496 numMergedOcc 0
23 mol 98 unq 14 iso 0 dist 6.0995 9.63267 7.02507 8.32269 9.6331 5.92242 9.82583 12.7417 9.42358 5.2571 numMergedOcc 0
24 mol 98 unq 15 iso 0 dist 6.0995 9.63267 7.02507 8.32269 9.6331 5.92242 13.2337 17.1287 13.9786 8.7497 numMergedOcc 0
25 mol 98 unq 16 iso 0 dist 9.29816 14.676 7.54889 12.9554 6.70343 5.2571 17.0916 9.81956 8.40073 5.10496 numMergedOcc 0
26 mol 98 unq 17 iso 0 dist 9.29816 14.676 7.54889 12.9554 6.70343 5.2571 12.7455 10.8223 9.42358 5.92242 numMergedOcc 0
27 mol 98 unq 18 iso 0 dist 9.29816 14.676 7.54889 12.9554 6.70343 5.2571 16.3389 7.78931 5.02887 8.7497 numMergedOcc 0
28 mol 98 unq 19 iso 0 dist 9.29816 16.3389 7.78931 12.9554 6.70343 8.7497 17.0916 9.81956 10.2427 5.10496 numMergedOcc 0
29 mol 98 unq 20 iso 0 dist 9.29816 16.3389 7.78931 12.9554 6.70343 8.7497 12.7455 10.8223 13.9786 5.92242 numMergedOcc 0
30 mol 98 unq 21 iso 0 dist 9.29816 16.3389 7.78931 12.9554 6.70343 8.7497 14.676 7.54889 5.02887 5.2571 numMergedOcc 0
31 mol 98 unq 22 iso 0 dist 5.08983 7.1452 7.54889 9.58039 6.70343 5.2571 12.4265 9.81956 8.40073 5.10496 numMergedOcc 0
32 mol 98 unq 23 iso 0 dist 5.08983 7.1452 7.54889 9.58039 6.70343 5.2571 14.0653 10.8223 9.42358 5.92242 numMergedOcc 0
33 mol 98 unq 24 iso 0 dist 5.08983 7.1452 7.54889 9.58039 6.70343 5.2571 4.96747 7.78931 5.02887 8.7497 numMergedOcc 0
34 mol 98 unq 25 iso 0 dist 5.08983 4.96747 7.78931 9.58039 6.70343 8.7497 12.4265 9.81956 10.2427 5.10496 numMergedOcc 0
35 mol 98 unq 26 iso 0 dist 5.08983 4.96747 7.78931 9.58039 6.70343 8.7497 14.0653 10.8223 13.9786 5.92242 numMergedOcc 0
36 mol 98 unq 27 iso 0 dist 5.08983 4.96747 7.78931 9.58039 6.70343 8.7497 7.1452 7.54889 5.02887 5.2571 numMergedOcc 0
37 mol 134 unq 0 iso 0 dist 8.78303 6.36794 8.69531 10.6236 5.83782 9.1998 15.5462 9.70973 11.6064 6.42772 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 8.78303 6.36794 8.69531 10.6236 5.83782 9.1998 5.73965 10.3432 7.09823 8.70621 numMergedOcc 0
39 mol 142 unq 0 iso 0 dist 9.15758 7.17402 7.18002 12.845 13.4681 7.81207 7.01127 10.7696 5.32922 6.14151 numMergedOcc 0
40 mol 167 unq 0 iso 0 dist 8.77904 6.64464 7.68266 6.48993 3.55199 6.84752 5.70785 7.6616 6.44246 7.86563 numMergedOcc 0
41 mol 167 unq 1 iso 0 dist 8.77904 6.64464 7.68266 6.48993 3.55199 6.84752 7.91498 9.2289 4.70068 7.02548 numMergedOcc 0
42 mol 167 unq 2 iso 0 dist 8.77904 5.70785 7.6616 6.48993 3.55199 7.86563 6.64464 7.68266 6.44246 6.84752 numMergedOcc 0
43 mol 167 unq 3 iso 0 dist 8.77904 5.70785 7.6616 6.48993 3.55199 7.86563 7.91498 9.2289 10.3445 7.02548 numMergedOcc 0
44 mol 167 unq 4 iso 0 dist 8.77904 7.91498 9.2289 6.48993 3.55199 7.02548 6.64464 7.68266 4.70068 6.84752 numMergedOcc 0
45 mol 167 unq 5 iso 0 dist 8.77904 7.91498 9.2289 6.48993 3.55199 7.02548 5.70785 7.6616 10.3445 7.86563 numMergedOcc 0
46 mol 167 unq 6 iso 0 dist 6.48993 6.64464 6.84752 8.77904 3.55199 7.68266 5.70785 7.86563 6.44246 7.6616 numMergedOcc 0
47 mol 167 unq 7 iso 0 dist 6.48993 6.64464 6.84752 8.77904 3.55199 7.68266 7.91498 7.02548 4.70068 9.2289 numMergedOcc 0
48 mol 167 unq 8 iso 0 dist 6.48993 5.70785 7.86563 8.77904 3.55199 7.6616 6.64464 6.84752 6.44246 7.68266 numMergedOcc 0
49 mol 167 unq 9 iso 0 dist 6.48993 5.70785 7.86563 8.77904 3.55199 7.6616 7.91498 7.02548 10.3445 9.2289 numMergedOcc 0
50 mol 167 unq 10 iso 0 dist 6.48993 7.91498 7.02548 8.77904 3.55199 9.2289 6.64464 6.84752 4.70068 7.68266 numMergedOcc 0
51 mol 167 unq 11 iso 0 dist 6.48993 7.91498 7.02548 8.77904 3.55199 9.2289 5.70785 7.86563 10.3445 7.6616 numMergedOcc 0
52 mol 225 unq 0 iso 0 dist 7.25438 9.20928 8.14831 15.0418 13.7858 6.50998 21.9943 21.1757 13.3965 8.1945 numMergedOcc 0
53 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 7.72489 3.51848 6.95511 12.1767 10.3406 6.96053 9.46361 numMergedOcc 0
54 mol 259 unq 1 iso 0 dist 7.72489 5.41945 6.95511 4.95855 3.51848 5.85442 5.59901 10.4017 9.98105 6.9899 numMergedOcc 0
55 mol 292 unq 0 iso 0 dist 5.72473 8.04474 7.20674 12.7549 9.14614 8.38121 9.83514 10.1532 11.8061 9.90967 numMergedOcc 0
