0 mol 25 unq 0 iso 0 dist 8.88413 5.97432 10.1525 7.05148 5.30154 6.61233 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.87281 5.97432 7.63409 7.05148 5.64303 6.61233 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 7.63928 5.97432 8.4666 7.05148 5.82503 6.61233 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 9.99155 5.23115 4.79817 7.26263 8.1988 5.74282 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.4545 8.95651 5.69731 5.62309 8.70803 8.0763 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 8.4545 8.95651 5.69731 7.11438 9.52327 12.2082 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 7.01176 8.95651 4.14907 5.62309 8.87994 8.0763 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 7.01176 8.95651 4.14907 7.11438 11.641 12.2082 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.53905 7.98999 11.7428 5.42828 5.76986 7.60016 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 7.15985 7.98999 3.98564 5.42828 5.39346 7.60016 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.82535 6.1835 4.68219 9.34823 6.09547 9.20368 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 6.18763 6.1835 5.75886 9.34823 5.13589 9.20368 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 8.44385 6.1835 8.65129 9.34823 10.8661 9.20368 numMergedOcc 0
13 mol 119 unq 3 iso 0 dist 5.63005 6.1835 6.4739 9.34823 12.0175 9.20368 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.86531 7.34386 8.6769 6.42904 5.92062 4.35684 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 6.23399 9.2042 6.55507 5.60184 7.51976 13.1849 numMergedOcc 0
16 mol 154 unq 1 iso 0 dist 6.23399 9.2042 6.55507 8.86862 5.02794 10.7443 numMergedOcc 0
17 mol 154 unq 2 iso 0 dist 6.23399 9.2042 6.55507 7.08477 7.23684 11.4511 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 6.07091 7.68295 5.487 6.80086 7.35753 9.56885 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 8.62103 7.31388 9.59996 9.26092 10.4168 14.2595 numMergedOcc 0
20 mol 270 unq 0 iso 0 dist 7.82003 4.95899 6.96493 8.55914 5.43023 8.65019 numMergedOcc 0
21 mol 270 unq 1 iso 0 dist 7.82003 4.95899 6.96493 8.41507 9.86495 7.31363 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 6.55855 7.71972 8.09454 9.11072 6.16703 13.2001 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 6.55855 7.71972 8.09454 6.83113 5.64601 4.45396 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 6.55855 7.71972 8.09454 9.44134 6.52035 5.57372 numMergedOcc 0
25 mol 274 unq 3 iso 0 dist 6.55855 9.76049 14.1363 9.11072 6.16703 18.037 numMergedOcc 0
26 mol 274 unq 4 iso 0 dist 6.55855 9.76049 14.1363 6.83113 5.64601 10.4434 numMergedOcc 0
27 mol 274 unq 5 iso 0 dist 6.55855 9.76049 14.1363 9.44134 6.52035 12.4711 numMergedOcc 0
28 mol 274 unq 6 iso 0 dist 9.52894 7.71972 10.0424 9.11072 6.40141 13.2001 numMergedOcc 0
29 mol 274 unq 7 iso 0 dist 9.52894 7.71972 10.0424 6.83113 10.5941 4.45396 numMergedOcc 0
30 mol 274 unq 8 iso 0 dist 9.52894 7.71972 10.0424 9.44134 5.71192 5.57372 numMergedOcc 0
31 mol 274 unq 9 iso 0 dist 9.52894 9.76049 15.375 9.11072 6.40141 18.037 numMergedOcc 0
32 mol 274 unq 10 iso 0 dist 9.52894 9.76049 15.375 6.83113 10.5941 10.4434 numMergedOcc 0
33 mol 274 unq 11 iso 0 dist 9.52894 9.76049 15.375 9.44134 5.71192 12.4711 numMergedOcc 0
34 mol 274 unq 12 iso 0 dist 9.71801 6.63662 13.9495 9.02071 6.20558 13.7785 numMergedOcc 0
35 mol 274 unq 13 iso 0 dist 9.71801 9.89698 10.0584 9.02071 6.20558 11.085 numMergedOcc 0
36 mol 274 unq 14 iso 0 dist 9.71801 7.65671 5.90436 9.02071 6.20558 5.36428 numMergedOcc 0
37 mol 274 unq 15 iso 0 dist 9.71801 7.3996 9.27829 9.02071 6.20558 11.9754 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 7.26542 9.60904 6.7501 8.42076 13.2859 10.8252 numMergedOcc 0
39 mol 288 unq 0 iso 0 dist 7.26542 9.60904 6.7501 8.42076 13.2859 10.8252 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 7.26542 9.60904 6.7501 8.42076 13.2859 10.8252 numMergedOcc 0
