0 mol 24 unq 0 iso 0 dist 4.93188 8.23075 4.21283 7.6222 4.87192 7.18124 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 4.93188 4.7841 4.97191 7.6222 4.87192 6.47026 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 5.81959 7.03372 6.32857 5.52519 5.44124 9.94731 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 8.00777 9.01812 4.06365 6.62562 6.00564 7.67463 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 7.71107 9.06601 12.2445 6.3561 6.98727 13.9368 numMergedOcc 0
5 mol 111 unq 1 iso 0 dist 7.71107 5.98809 3.75797 6.3561 6.98727 7.24101 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 6.98934 7.60162 9.53672 8.87718 8.3642 10.6912 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 6.98934 7.60162 9.53672 4.72999 4.31261 10.3844 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 7.99623 7.60162 8.90156 4.72999 7.7186 10.3844 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 8.93905 6.42623 9.23272 12.4334 9.23243 16.3967 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 8.93905 8.95899 14.3708 12.4334 9.23243 17.7931 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 6.20182 7.93088 5.21512 5.05715 6.00293 9.67872 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 8.38738 9.90947 15.2764 10.1139 7.27002 19.4167 numMergedOcc 0
13 mol 163 unq 1 iso 0 dist 8.38738 8.16252 12.99 10.1139 7.27002 16.9215 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 6.26839 9.52922 7.82899 11.1912 7.39369 9.72328 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 5.60393 7.13783 12.0319 9.41884 6.61806 15.0034 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 5.60393 7.13783 12.0319 12.3578 7.85966 19.3257 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 5.37446 6.85824 7.61953 7.09658 9.40123 12.3489 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 8.46327 9.06459 13.3401 15.5459 9.734 21.3879 numMergedOcc 0
19 mol 240 unq 0 iso 0 dist 9.47583 5.77749 10.2659 11.6095 7.35934 12.4025 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 8.60026 8.24356 11.1232 14.5304 7.75255 17.7089 numMergedOcc 0
21 mol 261 unq 1 iso 0 dist 8.60026 8.24356 11.1232 16.5975 8.96013 19.9957 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 7.67245 5.35705 5.78276 7.0588 7.92718 4.76359 numMergedOcc 0
23 mol 278 unq 1 iso 0 dist 9.12395 6.64378 5.78276 3.65013 7.92718 4.76359 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 5.31728 6.71946 4.12133 6.40962 5.04032 7.8605 numMergedOcc 0
25 mol 285 unq 1 iso 0 dist 5.31728 8.28061 10.3898 6.40962 5.04032 14.0418 numMergedOcc 0
26 mol 285 unq 2 iso 0 dist 5.31728 5.03601 6.89311 6.40962 5.04032 10.4548 numMergedOcc 0
