0 mol 7 unq 0 iso 0 dist 5.72491 9.67164 8.0744 12.2041 7.88043 5.99459 14.0084 10.6558 7.00508 7.78327 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.24958 8.87744 7.55689 12.3067 4.93188 10.4135 10.551 4.21283 5.75365 8.23075 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.24958 8.87744 7.55689 12.3067 4.93188 10.4135 14.1707 4.97191 10.3499 4.7841 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.24958 7.27472 5.11135 12.3067 4.93188 9.33482 10.551 4.21283 3.67206 8.23075 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.24958 7.27472 5.11135 12.3067 4.93188 9.33482 14.1707 4.97191 8.93303 4.7841 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 6.90155 4.79873 6.86525 10.6808 5.81959 11.4732 13.2158 6.32857 12.3528 7.03372 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 6.90155 9.48085 13.7717 10.6808 5.81959 17.8732 13.2158 6.32857 18.8486 7.03372 numMergedOcc 0
7 mol 38 unq 0 iso 0 dist 7.05737 9.19165 5.26748 5.64331 7.54179 10.9308 7.68478 4.841 5.08577 6.87122 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.60739 6.75943 4.55347 8.13395 9.93832 6.6263 11.4251 6.59887 5.14161 7.39848 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.85586 5.5087 5.50891 8.07446 5.16364 5.61588 7.37171 12.6176 10.0644 8.62079 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 8.85586 6.08682 4.75954 8.07446 5.16364 7.83244 7.37171 12.6176 12.1501 8.62079 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 5.16364 8.72682 5.56296 8.07446 8.85586 10.2939 8.62079 12.6176 14.0236 7.37171 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 5.16364 6.45841 6.69436 8.07446 8.85586 8.62198 8.62079 12.6176 11.9118 7.37171 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 5.16364 5.61588 5.50891 8.07446 8.85586 5.5087 8.62079 12.6176 10.0644 7.37171 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 5.16364 7.83244 4.75954 8.07446 8.85586 6.08682 8.62079 12.6176 12.1501 7.37171 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 5.34214 7.07971 6.8409 4.98336 7.55384 11.8087 9.56598 6.30703 12.1185 9.63963 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 8.28642 6.70693 4.71678 7.65448 9.77552 6.59889 11.2397 6.69469 5.12696 7.55934 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 7.62942 9.03441 8.89297 10.7531 6.60567 14.2497 16.1245 11.5264 17.2726 6.59544 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 6.29367 8.75536 6.57708 4.72474 5.76954 7.33709 11.8692 11.2216 13.5381 7.84952 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 8.86175 8.75536 13.4147 4.72474 6.29511 7.33709 11.8692 5.46009 13.5381 7.84952 numMergedOcc 0
20 mol 218 unq 2 iso 0 dist 9.20961 6.67404 6.57708 5.61978 5.76954 7.33709 12.5146 11.2216 13.5381 7.84952 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 6.17052 9.05018 7.14182 5.55137 9.77666 9.33962 7.79063 4.91893 9.81612 9.64778 numMergedOcc 0
