0 mol 61 unq 0 iso 0 dist 9.99643 8.2572 6.72123 10.0527 11.5608 9.62468 10.9342 12.3891 6.32949 8.30431 numMergedOcc 0
1 mol 61 unq 1 iso 0 dist 9.99643 8.2572 6.72123 12.5256 10.1513 5.92705 10.9342 12.3891 6.32949 4.628 numMergedOcc 0
2 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 10.6965 11.5099 8.69888 8.21784 12.3723 5.73338 6.21546 numMergedOcc 0
3 mol 175 unq 1 iso 0 dist 8.50904 8.09861 9.0018 12.0647 12.1783 5.08206 8.21784 12.3723 5.73338 6.03184 numMergedOcc 0
4 mol 175 unq 2 iso 0 dist 7.04318 8.09861 5.6234 10.6965 5.50014 8.69888 8.21784 6.73365 5.73338 6.21546 numMergedOcc 0
5 mol 175 unq 3 iso 0 dist 7.04318 8.09861 5.6234 12.0647 7.28617 5.08206 8.21784 6.73365 5.73338 6.03184 numMergedOcc 0
6 mol 178 unq 0 iso 0 dist 6.01118 9.73148 6.69288 11.0304 12.2822 8.0974 16.6482 18.3231 13.6129 8.14441 numMergedOcc 0
7 mol 182 unq 0 iso 0 dist 6.31492 7.48422 9.31746 5.16184 5.40949 7.86625 9.88308 12.503 4.85077 8.94671 numMergedOcc 0
8 mol 182 unq 1 iso 0 dist 7.8621 6.98787 9.31746 8.54162 5.40949 7.86625 9.61093 12.503 4.85077 8.94671 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 7.19917 9.55205 6.18308 8.87835 5.82028 9.67457 7.45619 8.07523 13.3929 6.24111 numMergedOcc 0
10 mol 210 unq 1 iso 0 dist 7.19917 9.55205 6.18308 8.87835 5.82028 9.67457 4.70332 7.56882 12.3088 9.00343 numMergedOcc 0
11 mol 210 unq 2 iso 0 dist 7.19917 9.55205 6.18308 8.87835 5.82028 9.67457 8.57997 10.5902 13.3774 6.41444 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 8.93637 14.8074 9.23153 21.6232 14.6296 7.31105 19.857 15.0279 6.19375 7.57712 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 7.69537 5.41675 6.61986 13.2281 6.46679 9.75313 19.2439 13.3678 15.4433 7.47122 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 7.69537 5.41675 6.61986 13.2281 6.46679 9.75313 9.41461 7.04127 4.55824 6.6537 numMergedOcc 0
15 mol 224 unq 2 iso 0 dist 7.69537 5.41675 6.61986 7.73616 7.85135 6.08709 6.0185 11.2702 6.70321 5.97988 numMergedOcc 0
16 mol 224 unq 3 iso 0 dist 7.69537 5.41675 6.61986 7.73616 7.85135 6.08709 9.41461 7.04127 4.55824 9.08719 numMergedOcc 0
17 mol 231 unq 0 iso 0 dist 8.17766 11.3675 7.37839 9.16488 5.3251 7.79865 6.17101 9.98232 10.9863 7.28719 numMergedOcc 0
18 mol 231 unq 1 iso 0 dist 8.17766 11.3675 7.37839 9.16488 5.3251 7.79865 9.12985 10.174 8.54452 6.60684 numMergedOcc 0
19 mol 231 unq 2 iso 0 dist 8.17766 12.5238 8.40182 9.16488 5.3251 6.14348 6.17101 9.98232 10.2117 7.28719 numMergedOcc 0
20 mol 231 unq 3 iso 0 dist 8.17766 12.5238 8.40182 9.16488 5.3251 6.14348 9.12985 10.174 6.95128 6.60684 numMergedOcc 0
21 mol 231 unq 4 iso 0 dist 9.84965 14.0116 7.37839 14.1681 5.3251 7.79865 14.1831 9.98232 10.9863 7.28719 numMergedOcc 0
22 mol 231 unq 5 iso 0 dist 9.84965 14.0116 7.37839 14.1681 5.3251 7.79865 16.1909 10.174 8.54452 6.60684 numMergedOcc 0
23 mol 231 unq 6 iso 0 dist 9.84965 16.7305 8.40182 14.1681 5.3251 6.14348 14.1831 9.98232 10.2117 7.28719 numMergedOcc 0
24 mol 231 unq 7 iso 0 dist 9.84965 16.7305 8.40182 14.1681 5.3251 6.14348 16.1909 10.174 6.95128 6.60684 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 9.82174 10.4397 6.57393 11.5665 10.8336 6.83152 16.2596 15.3066 9.76195 5.57184 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 9.2521 10.1821 7.31233 11.5665 12.1448 5.24313 16.2596 13.8075 7.01206 5.57184 numMergedOcc 0
27 mol 241 unq 0 iso 0 dist 8.62971 4.99503 7.4631 8.99792 4.86437 9.72526 7.14491 6.40592 7.93809 9.174 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 8.34646 6.21372 8.2965 14.594 11.762 8.71859 14.7619 15.9246 9.48478 8.11968 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 14.6706 10.221 8.58088 16.4071 14.0712 9.78068 7.70189 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 10.3275 5.71237 6.77279 11.3552 11.4871 13.6207 8.73077 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 6.49599 14.1932 8.13497 10.3275 5.71237 6.77279 6.96133 6.96379 10.908 6.76656 numMergedOcc 0
32 mol 259 unq 2 iso 0 dist 6.49599 13.8605 7.88519 10.3275 5.71237 9.58006 11.3552 11.4871 16.6797 8.73077 numMergedOcc 0
33 mol 259 unq 3 iso 0 dist 6.49599 13.8605 7.88519 10.3275 5.71237 9.58006 6.96133 6.96379 12.7595 6.76656 numMergedOcc 0
34 mol 259 unq 4 iso 0 dist 9.34738 13.8605 7.84554 10.3275 9.10984 9.58006 11.3552 16.137 16.6797 8.73077 numMergedOcc 0
35 mol 259 unq 5 iso 0 dist 9.34738 13.8605 7.84554 10.3275 9.10984 9.58006 6.96133 11.7889 12.7595 6.76656 numMergedOcc 0
36 mol 259 unq 6 iso 0 dist 9.47382 13.8605 7.46176 10.3275 11.8501 9.58006 11.3552 16.2919 16.6797 8.73077 numMergedOcc 0
37 mol 259 unq 7 iso 0 dist 9.47382 13.8605 7.46176 10.3275 11.8501 9.58006 6.96133 11.1532 12.7595 6.76656 numMergedOcc 0
38 mol 282 unq 0 iso 0 dist 7.70229 8.93697 8.76532 9.40138 4.58403 5.67266 5.64349 6.84554 9.67023 7.93511 numMergedOcc 0
39 mol 282 unq 1 iso 0 dist 7.70229 8.93697 8.76532 10.9385 13.108 9.63346 11.3384 14.7737 8.13794 5.62497 numMergedOcc 0
40 mol 282 unq 2 iso 0 dist 7.90792 8.93697 6.33524 9.40138 5.04235 5.67266 5.64349 9.51581 9.67023 7.93511 numMergedOcc 0
41 mol 282 unq 3 iso 0 dist 7.90792 8.93697 6.33524 10.9385 8.85797 9.63346 11.3384 11.0247 8.13794 5.62497 numMergedOcc 0
