0 mol 103 unq 0 iso 0 dist 5.72494 9.43076 4.78648 7.85115 11.4876 14.3087 5.40051 7.66418 12.2218 11.5009 numMergedOcc 0
1 mol 103 unq 1 iso 0 dist 8.70106 9.43076 10.6434 7.85115 11.2795 14.3087 5.40051 8.078 12.2218 11.5009 numMergedOcc 0
2 mol 103 unq 2 iso 0 dist 8.70106 9.43076 10.6434 7.85115 11.2795 14.3087 14.0531 6.56481 17.0972 15.0168 numMergedOcc 0
3 mol 148 unq 0 iso 0 dist 8.60157 9.8506 16.0449 7.91749 3.54257 13.5156 6.76353 8.6953 15.4666 9.0735 numMergedOcc 0
4 mol 148 unq 1 iso 0 dist 6.72591 9.8506 8.01366 7.91749 8.03052 13.5156 6.76353 9.18753 15.4666 9.0735 numMergedOcc 0
5 mol 150 unq 0 iso 0 dist 8.59359 9.91991 16.1293 7.96309 3.59609 13.6094 6.65519 8.65967 15.4042 9.03593 numMergedOcc 0
6 mol 150 unq 1 iso 0 dist 6.80192 9.91991 8.04136 7.96309 8.06512 13.6094 6.65519 9.15244 15.4042 9.03593 numMergedOcc 0
7 mol 158 unq 0 iso 0 dist 6.45502 6.22696 7.41724 4.80508 7.82494 5.09517 13.5755 9.38856 16.7053 16.1133 numMergedOcc 0
8 mol 158 unq 1 iso 0 dist 6.45502 6.22696 7.41724 4.88625 5.34159 6.2149 13.5755 9.38856 16.7053 13.1934 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 6.6514 5.57495 8.23378 8.87575 11.6251 9.5716 8.3419 7.20545 13.1213 13.5665 numMergedOcc 0
10 mol 167 unq 1 iso 0 dist 6.6514 9.38297 12.2546 8.87575 11.6251 15.8939 8.3419 7.20545 16.1368 13.5665 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 9.58783 4.68544 13.7197 8.1953 16.4635 8.60565 11.4343 9.11481 15.9581 13.5855 numMergedOcc 0
12 mol 168 unq 1 iso 0 dist 9.58783 4.68544 13.7197 8.16253 17.6725 5.62227 11.4343 9.11481 15.9581 17.3475 numMergedOcc 0
13 mol 182 unq 0 iso 0 dist 7.03216 8.45614 12.8965 8.43599 5.28013 12.3855 4.60682 8.27913 12.7488 9.75791 numMergedOcc 0
14 mol 182 unq 1 iso 0 dist 9.42196 8.45614 13.9118 8.43599 5.89583 12.3855 4.60682 8.85111 12.7488 9.75791 numMergedOcc 0
15 mol 198 unq 0 iso 0 dist 7.91967 9.42723 8.69902 6.49746 5.46544 3.70259 9.72265 9.87574 9.40433 7.95437 numMergedOcc 0
16 mol 198 unq 1 iso 0 dist 7.91967 9.42723 8.69902 5.8917 6.14119 5.13258 9.72265 9.87574 9.40433 10.7148 numMergedOcc 0
17 mol 198 unq 2 iso 0 dist 7.83611 8.37455 9.62353 7.48253 11.4181 3.4601 17.1351 9.87574 18.9724 21.1794 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 9.66533 8.70011 10.0389 7.81831 6.49466 3.64285 13.587 4.36421 14.1246 10.5407 numMergedOcc 0
19 mol 284 unq 0 iso 0 dist 5.62295 6.52085 7.38786 4.69611 8.4652 6.53775 10.8669 7.74965 14.332 15.0399 numMergedOcc 0
20 mol 284 unq 1 iso 0 dist 5.62295 9.84174 11.9492 4.69611 8.4652 13.4014 10.8669 7.74965 13.0377 15.0399 numMergedOcc 0
