0 mol 17 unq 0 iso 0 dist 6.89863 9.54285 5.21083 6.67987 10.5316 9.5937 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.89863 9.54285 5.21083 9.81441 7.96836 7.34681 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 5.09936 5.72494 6.35861 5.40051 7.68908 7.66418 numMergedOcc 0
3 mol 103 unq 1 iso 0 dist 5.09936 8.70106 5.56761 5.40051 7.68908 8.078 numMergedOcc 0
4 mol 103 unq 2 iso 0 dist 5.09936 8.70106 5.56761 14.0531 10.7434 6.56481 numMergedOcc 0
5 mol 132 unq 0 iso 0 dist 9.51094 9.10144 8.84157 5.36829 8.58873 6.94745 numMergedOcc 0
6 mol 132 unq 1 iso 0 dist 9.51094 7.14447 6.40933 9.07803 14.6132 9.39389 numMergedOcc 0
7 mol 167 unq 0 iso 0 dist 5.78397 6.6514 10.8251 8.3419 13.6017 7.20545 numMergedOcc 0
8 mol 167 unq 1 iso 0 dist 5.36359 6.6514 4.72853 8.3419 6.26373 7.20545 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 9.32543 7.5696 5.5367 9.55695 7.52692 6.20044 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 9.32543 7.5696 5.5367 7.67211 11.7737 8.41232 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 7.89136 5.2376 4.82052 7.16053 11.0124 6.80214 numMergedOcc 0
12 mol 220 unq 1 iso 0 dist 7.89136 7.66083 11.12 6.48083 9.92349 5.25149 numMergedOcc 0
13 mol 220 unq 2 iso 0 dist 7.89136 7.66083 11.12 6.54824 9.70779 8.6368 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 6.11495 9.49732 13.9806 14.4507 19.8607 8.54422 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 6.11495 9.49732 13.9806 10.4459 15.6722 7.67473 numMergedOcc 0
16 mol 272 unq 0 iso 0 dist 5.52789 9.10712 4.36153 7.57685 8.19595 7.90763 numMergedOcc 0
17 mol 276 unq 0 iso 0 dist 8.02433 5.71066 7.74891 6.62682 14.6188 9.87655 numMergedOcc 0
18 mol 276 unq 1 iso 0 dist 8.02433 8.0652 4.13053 6.40983 7.86619 7.60807 numMergedOcc 0
19 mol 284 unq 0 iso 0 dist 9.40824 5.62295 10.8528 10.8669 15.8296 7.74965 numMergedOcc 0
20 mol 284 unq 1 iso 0 dist 6.1324 5.62295 5.8173 10.8669 11.0167 7.74965 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 7.39418 9.11602 9.16384 7.31462 9.40407 8.40726 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 7.39418 9.11602 9.16384 6.64598 10.7644 5.15923 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 7.39418 9.11602 9.16384 7.31462 9.40407 8.40726 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 7.39418 9.11602 9.16384 6.64598 10.7644 5.15923 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.39418 9.11602 9.16384 7.31462 9.40407 8.40726 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 7.39418 9.11602 9.16384 6.64598 10.7644 5.15923 numMergedOcc 0
