0 mol 42 unq 0 iso 0 dist 6.14934 8.03678 4.50835 12.4373 13.1748 9.39402 15.6131 14.514 10.1829 5.52834 numMergedOcc 0
1 mol 42 unq 1 iso 0 dist 8.04675 8.03678 4.98339 12.4373 11.3896 9.39402 15.6131 11.4032 10.1829 5.52834 numMergedOcc 0
2 mol 42 unq 2 iso 0 dist 9.82637 8.7885 12.7112 10.9827 18.1663 9.39402 15.2296 20.8622 10.1829 5.52834 numMergedOcc 0
3 mol 42 unq 3 iso 0 dist 8.64833 8.7885 4.50835 10.9827 13.1748 9.39402 15.2296 14.514 10.1829 5.52834 numMergedOcc 0
4 mol 143 unq 0 iso 0 dist 6.7319 8.72521 10.9086 11.2808 14.505 6.38786 13.2705 14.8495 5.08025 5.40826 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 9.7168 7.91749 6.77599 6.76353 12.9544 9.0735 8.60157 5.77745 3.54257 8.6953 numMergedOcc 0
6 mol 148 unq 1 iso 0 dist 9.7168 7.91749 6.77599 6.76353 12.9544 9.0735 6.72591 12.9245 8.03052 9.18753 numMergedOcc 0
7 mol 148 unq 2 iso 0 dist 7.38138 7.91749 10.2375 6.76353 13.8436 9.0735 8.60157 11.2162 3.54257 8.6953 numMergedOcc 0
8 mol 148 unq 3 iso 0 dist 7.38138 7.91749 10.2375 6.76353 13.8436 9.0735 6.72591 10.5987 8.03052 9.18753 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 9.61132 7.96309 6.74495 6.65519 12.8058 9.03593 8.59359 5.71213 3.59609 8.65967 numMergedOcc 0
10 mol 150 unq 1 iso 0 dist 9.61132 7.96309 6.74495 6.65519 12.8058 9.03593 6.80192 12.8684 8.06512 9.15244 numMergedOcc 0
11 mol 150 unq 2 iso 0 dist 7.34423 7.96309 10.2651 6.65519 13.7265 9.03593 8.59359 11.2566 3.59609 8.65967 numMergedOcc 0
12 mol 150 unq 3 iso 0 dist 7.34423 7.96309 10.2651 6.65519 13.7265 9.03593 6.80192 10.4881 8.06512 9.15244 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 8.1504 4.80508 6.81208 8.67293 13.6407 9.98554 10.8796 10.6051 12.6695 9.96635 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 4.96326 7.02812 5.02061 5.80843 8.02366 9.40138 11.1149 11.6341 9.23654 7.98755 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 6.31492 8.43599 11.1685 4.60682 10.8493 9.75791 7.03216 9.72559 5.28013 8.27913 numMergedOcc 0
16 mol 182 unq 1 iso 0 dist 6.31492 8.43599 11.1685 4.60682 10.8493 9.75791 9.42196 13.9897 5.89583 8.85111 numMergedOcc 0
17 mol 182 unq 2 iso 0 dist 6.31492 8.43599 11.1685 4.60682 10.8493 9.75791 10.7536 16.9963 12.2157 6.38335 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 9.05666 8.42665 12.1342 4.64973 13.125 7.97601 9.67207 15.8138 9.82858 6.2016 numMergedOcc 0
19 mol 282 unq 0 iso 0 dist 6.65024 9.02882 4.50378 10.2055 10.9791 9.60384 12.4657 11.0508 12.5442 9.98886 numMergedOcc 0
20 mol 282 unq 1 iso 0 dist 6.65024 9.02882 4.50378 10.2055 10.9791 9.60384 10.1184 7.1564 7.00145 6.81887 numMergedOcc 0
21 mol 294 unq 0 iso 0 dist 9.6958 6.70519 14.2286 9.2921 18.9756 8.83359 10.8009 18.5887 5.13965 9.22572 numMergedOcc 0
