0 mol 24 unq 0 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 9.49646 6.28159 3.73215 8.87744 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.88413 8.27137 11.4148 5.59268 7.17969 4.79873 13.4236 5.68041 12.7147 9.48085 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.87281 8.27137 14.1577 5.59268 12.4135 4.79873 13.4236 15.57 12.7147 9.48085 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 7.63928 8.27137 14.321 5.59268 11.6743 4.79873 13.4236 15.7846 12.7147 9.48085 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 8.69069 9.70292 7.26851 5.69671 11.659 8.57395 12.0576 16.6518 11.734 8.27883 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 8.69069 9.70292 7.26851 5.69671 11.659 8.57395 10.4457 13.1525 6.95874 5.75428 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 8.69069 9.70292 7.26851 5.69671 11.659 8.57395 9.59704 9.13016 9.43547 9.85409 numMergedOcc 0
7 mol 95 unq 3 iso 0 dist 8.69069 9.59704 9.13016 5.69671 11.659 9.85409 12.0576 16.6518 17.4304 8.27883 numMergedOcc 0
8 mol 95 unq 4 iso 0 dist 8.69069 9.59704 9.13016 5.69671 11.659 9.85409 10.4457 13.1525 12.3063 5.75428 numMergedOcc 0
9 mol 95 unq 5 iso 0 dist 8.69069 9.59704 9.13016 5.69671 11.659 9.85409 9.70292 7.26851 9.43547 8.57395 numMergedOcc 0
10 mol 95 unq 6 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 12.0576 15.6249 11.734 8.27883 numMergedOcc 0
11 mol 95 unq 7 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 10.4457 12.4896 6.95874 5.75428 numMergedOcc 0
12 mol 95 unq 8 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 9.59704 8.78079 9.43547 9.85409 numMergedOcc 0
13 mol 95 unq 9 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 12.0576 15.6249 17.4304 8.27883 numMergedOcc 0
14 mol 95 unq 10 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 10.4457 12.4896 12.3063 5.75428 numMergedOcc 0
15 mol 95 unq 11 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 9.70292 14.2178 9.43547 8.57395 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 7.34638 7.03983 9.6331 7.02507 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 14.2657 10.4782 6.70343 7.54889 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 5.9747 8.3505 3.9764 13.9599 10.1136 8.7497 14.2657 10.4782 6.70343 7.78931 numMergedOcc 0
19 mol 98 unq 3 iso 0 dist 5.9747 7.34638 7.03983 10.4417 6.48948 7.02507 8.3505 3.9764 9.6331 5.92242 numMergedOcc 0
20 mol 98 unq 4 iso 0 dist 4.50572 6.0995 7.03983 9.63267 6.48948 7.02507 8.32269 3.9764 9.6331 5.92242 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 6.48328 8.42219 8.14031 11.8122 15.8031 9.42082 16.5482 18.3026 11.044 7.69765 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 6.43966 10.1333 5.51197 8.23699 10.6599 5.94312 6.69691 numMergedOcc 0
23 mol 129 unq 1 iso 0 dist 6.38163 6.53559 6.28232 6.43966 10.1333 5.51197 7.90844 12.3705 9.74141 8.86944 numMergedOcc 0
24 mol 129 unq 2 iso 0 dist 6.38163 7.90844 12.3705 6.43966 10.1333 8.86944 6.53559 6.28232 9.74141 5.51197 numMergedOcc 0
25 mol 129 unq 3 iso 0 dist 6.38163 7.90844 12.3705 6.43966 10.1333 8.86944 8.23699 10.6599 5.35495 6.69691 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 9.60369 8.78303 4.46337 6.36794 11.3835 8.69531 10.6236 10.092 5.83782 9.1998 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 9.55556 8.78303 7.41373 6.36794 9.86662 8.69531 10.6236 12.8086 5.83782 9.1998 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 8.96988 6.52441 10.6555 11.7795 16.9818 7.2793 8.16639 8.73726 3.47886 9.51091 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 8.96988 6.52441 10.6555 11.7795 16.9818 7.2793 18.1478 22.8546 12.5618 7.85184 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 5.41945 11.858 5.85442 7.72489 9.71793 3.51848 6.95511 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 9.12507 4.95855 7.09907 5.59901 5.30224 6.9899 10.7775 4.04513 8.0048 8.03219 numMergedOcc 0
32 mol 259 unq 2 iso 0 dist 9.12507 7.72489 9.71793 5.41945 11.858 6.95511 4.95855 7.09907 3.51848 5.85442 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 6.55855 4.97796 8.87855 4.56913 10.7806 6.4611 8.97249 12.393 13.5848 9.30212 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 9.52894 4.97796 13.0867 4.56913 13.5896 6.4611 8.97249 10.2884 13.5848 9.30212 numMergedOcc 0
35 mol 274 unq 2 iso 0 dist 9.71801 7.15079 11.4471 4.37547 13.9359 9.30212 9.39896 16.9539 13.5848 6.4611 numMergedOcc 0
36 mol 292 unq 0 iso 0 dist 9.64124 5.72473 6.80049 8.04474 11.448 7.20674 12.7549 14.7897 9.14614 8.38121 numMergedOcc 0
37 mol 292 unq 1 iso 0 dist 9.30668 5.72473 7.8414 8.04474 8.2734 7.20674 12.7549 14.179 9.14614 8.38121 numMergedOcc 0
