0 mol 28 unq 0 iso 0 dist 7.96846 6.69917 13.5709 7.11602 8.94257 7.40415 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 6.63128 8.64844 12.7696 5.08831 11.4898 6.15801 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 6.63128 8.64844 12.7696 6.54316 10.8618 9.63403 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 6.63128 8.64844 12.7696 13.7964 18.6664 8.07314 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 7.89468 5.06773 11.6185 10.5918 16.7938 7.03307 numMergedOcc 0
5 mol 44 unq 1 iso 0 dist 7.89468 5.06773 11.6185 8.16312 14.7882 7.25707 numMergedOcc 0
6 mol 44 unq 2 iso 0 dist 8.13585 5.06773 5.05253 10.5918 10.5858 7.03307 numMergedOcc 0
7 mol 44 unq 3 iso 0 dist 8.13585 5.06773 5.05253 8.16312 12.1261 7.25707 numMergedOcc 0
8 mol 44 unq 4 iso 0 dist 9.84064 8.2444 5.05253 14.6127 10.5858 7.03307 numMergedOcc 0
9 mol 44 unq 5 iso 0 dist 9.84064 8.2444 5.05253 12.3178 12.1261 7.25707 numMergedOcc 0
10 mol 44 unq 6 iso 0 dist 8.44721 5.06773 7.95554 10.5918 13.4128 7.03307 numMergedOcc 0
11 mol 44 unq 7 iso 0 dist 8.44721 5.06773 7.95554 8.16312 12.2686 7.25707 numMergedOcc 0
12 mol 44 unq 8 iso 0 dist 5.31062 8.2444 7.95554 14.6127 13.4128 7.03307 numMergedOcc 0
13 mol 44 unq 9 iso 0 dist 5.31062 8.2444 7.95554 12.3178 12.2686 7.25707 numMergedOcc 0
14 mol 68 unq 0 iso 0 dist 6.75545 7.65992 12.2139 6.13443 12.7314 6.40693 numMergedOcc 0
15 mol 68 unq 1 iso 0 dist 8.99095 7.65992 12.213 6.13443 14.0907 6.40693 numMergedOcc 0
16 mol 75 unq 0 iso 0 dist 5.72034 7.4765 5.19528 10.4154 11.9405 7.6433 numMergedOcc 0
17 mol 75 unq 1 iso 0 dist 6.15203 5.86585 5.19528 8.90421 11.9405 7.6433 numMergedOcc 0
18 mol 151 unq 0 iso 0 dist 5.37884 8.40211 5.04333 9.16226 7.80544 4.74531 numMergedOcc 0
19 mol 151 unq 1 iso 0 dist 6.24917 8.24746 5.04333 10.6214 7.80544 4.74531 numMergedOcc 0
20 mol 151 unq 2 iso 0 dist 7.64435 8.40211 4.87853 9.16226 5.59982 4.74531 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 5.54827 9.54732 5.76368 5.86535 6.73995 7.32555 numMergedOcc 0
22 mol 171 unq 1 iso 0 dist 8.06482 9.54732 10.8584 5.86535 8.619 7.32555 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 5.85932 9.39571 9.46424 12.1202 11.811 8.61563 numMergedOcc 0
24 mol 261 unq 1 iso 0 dist 5.69181 9.39571 7.48263 12.1202 12.7781 8.61563 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 9.32681 7.2551 7.30503 6.74507 13.4453 8.81717 numMergedOcc 0
26 mol 284 unq 0 iso 0 dist 7.42007 5.71854 4.98629 8.14939 13.9966 9.63007 numMergedOcc 0
27 mol 284 unq 1 iso 0 dist 9.91827 7.66625 4.98629 9.94187 13.9966 9.63007 numMergedOcc 0
