0 mol 51 unq 0 iso 0 dist 7.7625 10.401 9.06397 5.8664 9.0709 12.8917 11.3631 5.27155 7.95419 13.9156 numMergedOcc 0
1 mol 112 unq 0 iso 0 dist 7.65229 11.4776 5.81552 5.43987 9.60462 10.626 13.0796 9.60908 9.42175 14.3405 numMergedOcc 0
2 mol 112 unq 1 iso 0 dist 7.65229 11.4776 5.81552 9.7695 7.45389 5.27363 13.0796 9.60908 9.42175 13.2326 numMergedOcc 0
3 mol 175 unq 0 iso 0 dist 7.04318 8.21784 6.73365 8.09861 5.6234 5.73338 7.01007 6.15969 8.6609 10.7272 numMergedOcc 0
4 mol 175 unq 1 iso 0 dist 7.04318 8.21784 6.73365 8.09861 5.6234 5.73338 10.6965 5.50014 6.21546 8.69888 numMergedOcc 0
5 mol 175 unq 2 iso 0 dist 7.04318 8.21784 6.73365 8.09861 5.6234 5.73338 12.0647 7.28617 6.03184 5.08206 numMergedOcc 0
6 mol 175 unq 3 iso 0 dist 7.04318 8.21784 6.73365 10.1323 9.92231 12.753 7.01007 6.15969 8.6609 14.7648 numMergedOcc 0
7 mol 175 unq 4 iso 0 dist 7.04318 8.21784 6.73365 10.1323 9.92231 12.753 10.6965 5.50014 6.21546 14.9263 numMergedOcc 0
8 mol 175 unq 5 iso 0 dist 7.04318 8.21784 6.73365 10.1323 9.92231 12.753 12.0647 7.28617 6.03184 11.7895 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 6.96824 13.2658 9.63295 8.76337 7.63312 12.5935 10.7353 5.16386 6.47689 11.5992 numMergedOcc 0
10 mol 210 unq 0 iso 0 dist 7.19917 7.45619 8.07523 9.55205 6.18308 13.3929 8.87835 5.82028 6.24111 9.67457 numMergedOcc 0
11 mol 210 unq 1 iso 0 dist 7.19917 7.45619 8.07523 9.55205 6.18308 13.3929 8.93859 4.62641 8.60412 9.90494 numMergedOcc 0
12 mol 210 unq 2 iso 0 dist 7.19917 4.70332 7.56882 9.55205 6.18308 12.3088 8.87835 5.82028 9.00343 9.67457 numMergedOcc 0
13 mol 210 unq 3 iso 0 dist 7.19917 4.70332 7.56882 9.55205 6.18308 12.3088 8.93859 4.62641 7.05535 9.90494 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 7.69537 9.41461 7.04127 5.92906 9.40098 11.7724 13.2281 6.46679 6.6537 14.4547 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 7.69537 9.41461 7.04127 5.92906 9.40098 11.7724 7.73616 7.85135 9.08719 13.1222 numMergedOcc 0
16 mol 224 unq 2 iso 0 dist 7.69537 9.41461 7.04127 5.41675 6.61986 4.55824 13.2281 6.46679 6.6537 9.75313 numMergedOcc 0
17 mol 224 unq 3 iso 0 dist 7.69537 9.41461 7.04127 5.41675 6.61986 4.55824 7.73616 7.85135 9.08719 6.08709 numMergedOcc 0
18 mol 231 unq 0 iso 0 dist 8.17766 6.17101 9.98232 11.3675 7.37839 10.9863 9.16488 5.3251 7.28719 7.79865 numMergedOcc 0
19 mol 231 unq 1 iso 0 dist 8.17766 6.17101 9.98232 12.5238 8.40182 10.2117 9.16488 5.3251 7.28719 6.14348 numMergedOcc 0
20 mol 231 unq 2 iso 0 dist 9.84965 14.1831 9.98232 14.0116 7.37839 10.9863 14.1681 5.3251 7.28719 7.79865 numMergedOcc 0
21 mol 231 unq 3 iso 0 dist 9.84965 14.1831 9.98232 16.7305 8.40182 10.2117 14.1681 5.3251 7.28719 6.14348 numMergedOcc 0
22 mol 241 unq 0 iso 0 dist 8.62971 7.14491 6.40592 4.99503 7.4631 7.93809 8.99792 4.86437 9.174 9.72526 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 5.76077 11.6981 8.07341 9.0081 9.02271 16.581 14.0812 11.4733 9.58767 19.9111 numMergedOcc 0
24 mol 253 unq 1 iso 0 dist 7.0247 12.0836 8.07341 10.9027 9.02271 16.581 12.2223 11.4733 9.58767 19.9111 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 6.49599 6.96133 6.96379 14.1932 8.13497 10.908 10.3275 5.71237 6.76656 6.77279 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 6.49599 6.96133 6.96379 13.8605 7.88519 12.7595 10.3275 5.71237 6.76656 9.58006 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 7.7309 11.0146 9.43169 9.29412 6.05727 6.5875 10.703 8.80293 6.41477 10.2386 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 4.96568 11.7587 7.54805 5.25115 8.4218 12.5953 17.8101 15.4199 9.56472 15.5946 numMergedOcc 0
29 mol 265 unq 1 iso 0 dist 4.96568 11.7587 7.54805 5.25115 8.4218 12.5953 16.7978 12.4903 6.5072 17.4584 numMergedOcc 0
30 mol 265 unq 2 iso 0 dist 4.96568 11.7587 7.54805 5.25115 8.4218 12.5953 9.97669 5.11366 4.03921 12.3211 numMergedOcc 0
31 mol 272 unq 0 iso 0 dist 7.22438 10.4121 4.78812 10.3544 8.33638 5.27123 12.4008 5.96981 7.50321 12.4617 numMergedOcc 0
32 mol 272 unq 1 iso 0 dist 7.22438 10.4121 4.78812 10.3544 8.33638 5.27123 10.2183 6.76845 9.61597 13.2205 numMergedOcc 0
33 mol 272 unq 2 iso 0 dist 7.66615 10.4121 6.62923 11.4664 9.97651 11.9042 12.4008 7.55961 7.50321 16.9946 numMergedOcc 0
34 mol 272 unq 3 iso 0 dist 7.66615 10.4121 6.62923 11.4664 9.97651 11.9042 10.2183 5.43733 9.61597 15.2989 numMergedOcc 0
35 mol 272 unq 4 iso 0 dist 7.66615 10.4121 6.62923 10.3544 8.46116 5.27123 12.4008 7.55961 7.50321 12.4617 numMergedOcc 0
36 mol 272 unq 5 iso 0 dist 7.66615 10.4121 6.62923 10.3544 8.46116 5.27123 10.2183 5.43733 9.61597 13.2205 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 8.27977 8.89193 5.17586 13.1217 9.70696 5.9229 8.85653 6.03718 8.57035 14.3672 numMergedOcc 0
38 mol 282 unq 0 iso 0 dist 7.70229 5.64349 6.84554 8.93697 8.76532 9.67023 9.40138 4.58403 7.93511 5.67266 numMergedOcc 0
39 mol 282 unq 1 iso 0 dist 7.90792 5.64349 9.51581 8.93697 6.33524 9.67023 9.40138 5.04235 7.93511 5.67266 numMergedOcc 0
