0 mol 17 unq 0 iso 0 dist 8.04682 6.25587 3.85023 9.00893 5.72314 3.62282 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 6.78966 6.81867 5.21227 7.03969 6.20443 5.80365 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 4.73829 7.88689 5.55523 8.1717 8.03385 4.32751 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.52639 7.54919 8.86585 6.29801 3.40476 5.88927 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 8.50394 9.12912 8.86585 8.39378 3.40476 5.88927 numMergedOcc 0
5 mol 107 unq 0 iso 0 dist 7.06322 8.92347 11.2991 4.99934 3.35244 8.49625 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 5.6738 5.7085 8.69658 6.38269 4.62493 6.29259 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 5.6738 5.7085 8.69658 7.11196 6.47997 7.08122 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 8.8413 8.29394 5.25923 7.49032 3.21474 4.10526 numMergedOcc 0
9 mol 123 unq 1 iso 0 dist 7.82124 5.98534 5.25923 7.04627 3.21474 4.10526 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 6.07578 6.08141 7.86006 8.00826 8.3501 8.77204 numMergedOcc 0
11 mol 258 unq 0 iso 0 dist 6.26195 9.43704 5.58975 8.86773 5.7139 9.10894 numMergedOcc 0
12 mol 258 unq 1 iso 0 dist 6.26195 9.43704 5.58975 8.95095 4.05528 7.26991 numMergedOcc 0
13 mol 258 unq 2 iso 0 dist 6.26195 7.41653 11.0519 8.86773 5.7139 13.163 numMergedOcc 0
14 mol 258 unq 3 iso 0 dist 6.26195 7.41653 11.0519 8.95095 4.05528 14.0247 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 7.57543 6.99089 8.70836 7.51951 8.28959 4.72338 numMergedOcc 0
16 mol 266 unq 1 iso 0 dist 8.55542 6.99089 12.6333 7.51951 15.2829 4.72338 numMergedOcc 0
17 mol 266 unq 2 iso 0 dist 8.93788 6.99089 14.63 7.51951 16.0845 4.72338 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 8.02328 9.88921 17.4298 7.08918 12.3473 6.85669 numMergedOcc 0
19 mol 278 unq 0 iso 0 dist 8.28751 8.31165 8.25822 8.69111 3.39646 8.79088 numMergedOcc 0
