0 mol 53 unq 0 iso 0 dist 8.92376 4.37564 4.75776 10.3008 5.68983 7.75295 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 4.85949 10.8479 8.83296 8.86375 4.215 7.31784 numMergedOcc 0
2 mol 156 unq 0 iso 0 dist 6.23534 8.74124 5.90883 15.4117 11.3995 7.46845 numMergedOcc 0
3 mol 171 unq 0 iso 0 dist 5.94881 6.75094 9.75627 6.08141 11.6944 8.1536 numMergedOcc 0
4 mol 186 unq 0 iso 0 dist 9.12102 12.1976 7.55358 19.438 13.1254 7.46987 numMergedOcc 0
5 mol 193 unq 0 iso 0 dist 9.07517 10.9189 5.44396 9.58736 3.98356 8.67745 numMergedOcc 0
6 mol 193 unq 1 iso 0 dist 9.07517 7.05903 6.22972 9.58736 3.98356 9.41624 numMergedOcc 0
7 mol 194 unq 0 iso 0 dist 8.26119 9.55026 5.52678 7.27978 5.92931 6.37788 numMergedOcc 0
8 mol 194 unq 1 iso 0 dist 8.26119 5.81844 9.81666 7.27978 5.92931 8.7028 numMergedOcc 0
9 mol 194 unq 2 iso 0 dist 9.10338 7.42146 5.52678 9.33397 5.92931 6.37788 numMergedOcc 0
10 mol 194 unq 3 iso 0 dist 9.10338 14.7061 9.81666 9.33397 5.92931 8.7028 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 7.81918 12.4669 6.53728 20.2595 14.3973 9.23935 numMergedOcc 0
12 mol 225 unq 1 iso 0 dist 7.81918 12.4669 6.53728 19.9871 13.923 7.77552 numMergedOcc 0
13 mol 225 unq 2 iso 0 dist 8.92533 14.9481 6.53728 21.6973 14.3973 9.23935 numMergedOcc 0
14 mol 225 unq 3 iso 0 dist 8.92533 14.9481 6.53728 22.1529 13.923 7.77552 numMergedOcc 0
15 mol 225 unq 4 iso 0 dist 7.55355 11.802 6.53728 12.0701 6.59663 8.20162 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 8.43465 7.79077 5.74568 11.2071 11.5512 7.21655 numMergedOcc 0
17 mol 286 unq 0 iso 0 dist 5.7547 9.00942 5.91064 12.0508 7.09114 8.69826 numMergedOcc 0
18 mol 286 unq 1 iso 0 dist 9.56362 5.49495 5.91064 14.0387 7.09114 8.69826 numMergedOcc 0
