0 mol 7 unq 0 iso 0 dist 7.88043 7.78327 10.6558 12.2041 5.72491 14.0084 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 4.93188 8.23075 4.21283 12.3067 9.24958 10.551 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.93188 4.7841 4.97191 12.3067 9.24958 14.1707 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 5.81959 7.03372 6.32857 10.6808 6.90155 13.2158 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 7.05737 7.68478 4.841 5.64331 7.54179 6.87122 numMergedOcc 0
5 mol 38 unq 1 iso 0 dist 7.54179 6.87122 4.841 5.64331 7.05737 7.68478 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.93832 7.39848 6.59887 8.13395 8.60739 11.4251 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.85586 7.37171 12.6176 8.07446 5.16364 8.62079 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.16364 8.62079 12.6176 8.07446 8.85586 7.37171 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 8.00777 9.01812 4.06365 4.26409 7.1589 9.90583 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 7.55384 9.63963 6.30703 4.98336 5.34214 9.56598 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 6.43433 6.87434 4.25001 5.0812 9.92283 11.5809 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 8.80896 8.57739 5.46636 5.59807 8.97264 11.4882 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 9.29384 8.80895 9.6795 13.2572 9.15431 17.4411 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 9.29384 8.80895 9.6795 6.63273 6.92648 12.9064 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 6.69515 7.46621 10.7652 6.21253 7.86572 13.6589 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 5.49226 8.39897 7.88487 7.15222 6.28351 12.4684 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 9.77552 7.55934 6.69469 7.65448 8.28642 11.2397 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.24795 5.90765 9.28201 9.41955 9.56197 14.8324 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 7.24795 5.90765 9.28201 13.684 8.64409 17.3863 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 7.24795 5.90765 9.28201 9.45987 7.60202 13.011 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 6.26839 9.52922 7.82899 8.0179 8.12346 11.2599 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 6.26839 9.52922 7.82899 14.6506 8.83356 14.7152 numMergedOcc 0
23 mol 194 unq 2 iso 0 dist 6.26839 9.52922 7.82899 8.48054 8.2654 14.7929 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 6.60567 6.59544 11.5264 10.7531 7.62942 16.1245 numMergedOcc 0
25 mol 198 unq 0 iso 0 dist 8.10985 6.77156 13.3432 11.6493 9.18635 17.8926 numMergedOcc 0
26 mol 198 unq 1 iso 0 dist 8.10985 7.97894 12.4245 11.6493 9.18635 19.0958 numMergedOcc 0
27 mol 198 unq 2 iso 0 dist 8.10985 8.08471 5.45278 11.6493 9.18635 14.037 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 5.60393 7.13783 12.0319 7.38516 8.44861 13.3708 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 8.46327 9.06459 13.3401 12.7897 7.05523 19.3882 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 5.76954 7.84952 11.2216 4.72474 6.29367 11.8692 numMergedOcc 0
31 mol 218 unq 1 iso 0 dist 5.76954 7.84952 11.2216 5.61978 9.20961 12.5146 numMergedOcc 0
32 mol 218 unq 2 iso 0 dist 6.29511 7.84952 5.46009 4.72474 8.86175 11.8692 numMergedOcc 0
33 mol 240 unq 0 iso 0 dist 9.47583 5.77749 10.2659 4.28414 8.44909 9.30946 numMergedOcc 0
34 mol 248 unq 0 iso 0 dist 6.17052 7.79063 4.91893 5.55137 9.77666 9.64778 numMergedOcc 0
35 mol 248 unq 1 iso 0 dist 9.77666 9.64778 4.91893 5.55137 6.17052 7.79063 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 8.15467 7.12221 8.34189 4.26007 9.1925 9.60414 numMergedOcc 0
37 mol 258 unq 1 iso 0 dist 8.15467 5.4557 10.6472 4.26007 9.1925 9.62202 numMergedOcc 0
38 mol 261 unq 0 iso 0 dist 8.60026 8.24356 11.1232 7.00201 5.26434 12.3855 numMergedOcc 0
39 mol 278 unq 0 iso 0 dist 7.67245 5.35705 5.78276 5.74345 9.12395 6.64378 numMergedOcc 0
40 mol 278 unq 1 iso 0 dist 9.12395 6.64378 5.78276 5.74345 7.67245 5.35705 numMergedOcc 0
