0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 7.78327 13.5229 10.6558 12.2041 10.5461 5.72491 14.0084 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.54419 4.93188 4.33963 8.23075 6.7846 4.21283 12.3067 7.36323 9.24958 10.551 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.54419 4.93188 4.33963 4.7841 8.03955 4.97191 12.3067 7.36323 9.24958 14.1707 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 7.31767 5.81959 7.63409 7.03372 7.23535 6.32857 10.6808 12.4135 6.90155 13.2158 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 6.03987 5.81959 8.4666 7.03372 9.92243 6.32857 10.6808 11.6743 6.90155 13.2158 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.80331 9.93832 9.06158 7.39848 9.86609 6.59887 8.13395 6.20293 8.60739 11.4251 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.70481 8.85586 14.8866 7.37171 15.1432 12.6176 8.07446 16.0098 5.16364 8.62079 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 9.01812 8.37717 4.06365 4.26409 6.19965 7.1589 9.90583 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 6.87434 4.69658 4.25001 5.0812 12.603 9.92283 11.5809 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 6.85062 9.29384 9.32969 8.80895 11.6692 9.6795 13.2572 14.2958 9.15431 17.4411 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 8.80895 11.6692 9.6795 6.63273 7.12972 6.92648 12.9064 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 8.56324 9.77552 9.35627 7.55934 9.73449 6.69469 7.65448 6.70283 8.28642 11.2397 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 7.26832 5.60393 5.28092 7.13783 13.3822 12.0319 7.38516 6.03031 8.44861 13.3708 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 8.82096 8.46327 10.2399 9.06459 4.15355 13.3401 12.7897 16.7691 7.05523 19.3882 numMergedOcc 0
14 mol 248 unq 0 iso 0 dist 7.69895 6.17052 5.99459 7.79063 6.19721 4.91893 5.55137 7.21521 9.77666 9.64778 numMergedOcc 0
15 mol 248 unq 1 iso 0 dist 7.21521 9.77666 5.99459 9.64778 6.19721 4.91893 5.55137 7.69895 6.17052 7.79063 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 6.97229 8.15467 11.6066 7.12221 6.24714 8.34189 4.26007 10.9661 9.1925 9.60414 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 6.97229 8.15467 11.6066 5.4557 4.02333 10.6472 4.26007 10.9661 9.1925 9.62202 numMergedOcc 0
18 mol 261 unq 0 iso 0 dist 8.45658 8.60026 6.04016 8.24356 11.4108 11.1232 7.00201 9.14619 5.26434 12.3855 numMergedOcc 0
