0 mol 16 unq 0 iso 0 dist 9.76968 8.55371 5.47769 13.1436 5.66097 9.47421 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 9.59244 4.07863 6.23899 8.61357 7.43198 8.10708 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 9.59244 4.07863 6.23899 12.2093 4.60667 8.42956 numMergedOcc 0
3 mol 59 unq 2 iso 0 dist 9.59244 4.07863 6.23899 11.3905 8.34147 9.20253 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.99491 6.84612 8.68586 9.67624 9.95527 8.64746 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 8.04256 9.07668 7.96497 15.6297 13.0823 8.18002 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 8.04256 9.07668 7.96497 12.9322 5.31976 9.01261 numMergedOcc 0
7 mol 68 unq 2 iso 0 dist 7.51075 3.89794 7.96497 5.73908 13.0823 8.18002 numMergedOcc 0
8 mol 68 unq 3 iso 0 dist 7.51075 3.89794 7.96497 6.77421 5.31976 9.01261 numMergedOcc 0
9 mol 75 unq 0 iso 0 dist 6.95595 8.91765 5.15851 13.6061 6.77761 7.14313 numMergedOcc 0
10 mol 75 unq 1 iso 0 dist 6.95595 8.91765 5.15851 5.01633 5.56574 8.26819 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 5.86531 5.80615 7.92688 11.818 14.1314 6.61636 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 6.7973 5.10076 7.16254 11.4704 10.0656 8.54318 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 5.83071 9.81014 9.93083 15.3562 12.3545 8.57818 numMergedOcc 0
14 mol 187 unq 0 iso 0 dist 9.36086 5.94354 9.27478 5.82577 4.98423 7.9625 numMergedOcc 0
15 mol 187 unq 1 iso 0 dist 9.36086 5.94354 9.27478 12.8654 10.0429 8.9148 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 8.90987 14.3961 7.17676 13.6603 5.27568 5.77356 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 8.90987 12.7435 6.68463 13.6603 5.27568 9.24309 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 6.37672 10.4294 8.83735 17.0768 12.5843 9.02486 numMergedOcc 0
19 mol 249 unq 1 iso 0 dist 8.94023 9.10124 8.83735 16.4949 12.5843 9.02486 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 8.59986 10.0609 9.02188 11.4475 6.01492 5.45375 numMergedOcc 0
21 mol 293 unq 0 iso 0 dist 9.55282 4.37303 9.47908 6.97887 5.67215 5.88449 numMergedOcc 0
22 mol 293 unq 1 iso 0 dist 9.55282 4.37303 9.47908 4.66962 8.36783 7.44889 numMergedOcc 0
23 mol 293 unq 2 iso 0 dist 9.55282 4.37303 9.47908 6.04186 6.91752 5.50284 numMergedOcc 0
24 mol 293 unq 3 iso 0 dist 9.55282 11.0749 9.97212 13.6454 6.98777 8.93207 numMergedOcc 0
25 mol 293 unq 4 iso 0 dist 9.55282 11.0749 9.97212 6.97887 5.67215 7.2668 numMergedOcc 0
26 mol 293 unq 5 iso 0 dist 9.55282 11.0749 9.97212 6.04186 6.91752 8.88355 numMergedOcc 0
27 mol 293 unq 6 iso 0 dist 6.27435 4.37303 8.56847 6.97887 11.4201 5.88449 numMergedOcc 0
28 mol 293 unq 7 iso 0 dist 6.27435 4.37303 8.56847 4.66962 9.51167 7.44889 numMergedOcc 0
29 mol 293 unq 8 iso 0 dist 6.27435 4.37303 8.56847 6.04186 5.66805 5.50284 numMergedOcc 0
