0 mol 30 unq 0 iso 0 dist 3.68549 8.15347 6.61952 4.1735 7.47342 11.422 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 6.92837 5.38363 10.8149 4.18064 7.62791 9.13024 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 9.43143 9.85325 4.7874 8.83086 6.68311 5.19407 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.29446 9.9934 15.5077 9.98366 5.57265 15.1474 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 9.29446 9.9934 15.5077 8.55415 7.05258 17.9191 numMergedOcc 0
5 mol 102 unq 0 iso 0 dist 8.84131 9.00369 3.48119 8.38008 9.84673 9.5434 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 6.34542 9.83758 6.34994 5.3644 9.04546 8.69371 numMergedOcc 0
7 mol 124 unq 0 iso 0 dist 6.71293 6.67979 9.79481 5.87352 6.35314 9.66083 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 5.21803 8.7019 4.68369 4.46061 8.46796 12.5985 numMergedOcc 0
9 mol 172 unq 0 iso 0 dist 9.94649 9.66616 4.52195 6.78233 7.34586 10.1211 numMergedOcc 0
10 mol 172 unq 1 iso 0 dist 9.94649 9.66616 4.52195 8.65462 5.5139 7.3485 numMergedOcc 0
11 mol 218 unq 0 iso 0 dist 8.95233 8.41062 9.95258 6.40811 8.2088 12.9541 numMergedOcc 0
12 mol 218 unq 1 iso 0 dist 8.95233 8.93793 3.61669 6.40811 8.2088 10.5533 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 8.82778 9.0495 4.61469 16.7643 8.61729 12.1128 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 9.80409 8.55479 11.4108 13.665 6.82526 16.4706 numMergedOcc 0
15 mol 265 unq 0 iso 0 dist 8.49415 9.40917 5.94366 12.9437 5.3051 8.57848 numMergedOcc 0
16 mol 265 unq 1 iso 0 dist 8.49415 5.44039 7.71667 12.9437 5.3051 10.885 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 9.38793 7.05489 9.94225 10.4217 8.82899 14.8964 numMergedOcc 0
18 mol 294 unq 0 iso 0 dist 7.77765 7.0445 14.5847 7.02465 5.18789 13.8136 numMergedOcc 0
