0 mol 10 unq 0 iso 0 dist 8.99402 9.78153 17.1926 5.07222 13.475 7.55253 11.3265 15.4256 8.34698 9.6451 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.99402 9.78153 17.1926 12.5246 18.9112 8.06428 11.3265 15.4256 8.34698 5.8369 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.26685 7.34681 9.4204 4.2802 12.5103 6.64199 12.5763 19.1017 11.1609 8.90155 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 14.1481 16.9608 9.71995 16.9886 18.1126 9.60272 6.93011 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.38928 9.40644 8.74683 8.12843 12.6567 7.33788 5.35252 5.03338 5.43494 8.52681 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 7.38928 9.40644 8.74683 9.72202 14.8248 9.74351 5.35252 5.03338 5.43494 9.98769 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 7.38928 9.40644 8.74683 12.7252 15.3951 7.36877 11.2709 9.68549 5.13868 9.55284 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 7.38928 5.35252 5.03338 8.12843 12.6567 8.52681 9.40644 8.74683 5.43494 7.33788 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 7.38928 5.35252 5.03338 9.72202 14.8248 9.98769 9.40644 8.74683 5.43494 9.74351 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.27331 7.45777 4.68175 7.85784 10.1296 5.88827 11.8571 7.09483 4.56026 7.9575 numMergedOcc 0
10 mol 224 unq 0 iso 0 dist 7.58998 6.23677 6.88745 10.602 14.3695 7.80646 10.0534 11.7904 5.19836 5.95109 numMergedOcc 0
11 mol 224 unq 1 iso 0 dist 8.71944 8.82663 5.45067 4.93894 8.32306 5.95109 10.6574 5.22231 5.19836 7.80646 numMergedOcc 0
12 mol 230 unq 0 iso 0 dist 6.88683 9.24729 11.0843 15.7177 17.788 9.73038 18.1816 18.5447 9.462 7.51295 numMergedOcc 0
13 mol 266 unq 0 iso 0 dist 9.77392 9.0836 16.492 7.52317 13.6284 6.39822 9.62494 18.9489 5.40028 8.61077 numMergedOcc 0
14 mol 266 unq 1 iso 0 dist 9.77392 9.0836 16.492 9.52953 14.9038 5.36518 9.62494 18.9489 5.40028 9.11585 numMergedOcc 0
15 mol 266 unq 2 iso 0 dist 9.77392 9.62494 18.9489 5.79323 12.7077 9.90506 10.0796 19.729 5.6921 9.03341 numMergedOcc 0
16 mol 266 unq 3 iso 0 dist 9.77392 9.62494 18.9489 7.52317 13.6284 8.61077 9.0836 16.492 5.40028 6.39822 numMergedOcc 0
17 mol 266 unq 4 iso 0 dist 9.77392 9.62494 18.9489 9.52953 14.9038 9.11585 9.0836 16.492 5.40028 5.36518 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 6.23539 6.66936 5.95045 14.4215 13.4083 9.07744 15.7869 13.6323 12.752 8.42892 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 6.23539 6.66936 5.95045 14.4215 13.4083 9.07744 21.64 19.7511 15.2073 8.90967 numMergedOcc 0
20 mol 281 unq 0 iso 0 dist 6.7897 6.58925 4.37855 14.7035 12.9128 9.39268 21.8951 17.6253 15.6382 9.06888 numMergedOcc 0
