0 mol 13 unq 0 iso 0 dist 7.68531 8.54188 8.5226 12.4916 6.49386 7.71544 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.12595 10.6323 8.49525 7.20409 4.1456 9.25641 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 9.78763 11.2863 6.22059 11.6737 3.55079 5.96486 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 5.29259 4.64006 6.8458 5.99873 3.46142 8.53731 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 9.12113 5.90092 9.41415 4.90449 6.33908 7.72434 numMergedOcc 0
5 mol 132 unq 0 iso 0 dist 9.90511 8.89056 8.31873 14.6998 11.846 8.883 numMergedOcc 0
6 mol 165 unq 0 iso 0 dist 8.43681 4.56096 5.94867 11.3717 3.91877 7.65047 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 6.07578 7.0159 8.45343 8.30819 12.3288 8.59783 numMergedOcc 0
8 mol 219 unq 0 iso 0 dist 9.72263 12.8131 8.72341 13.2981 4.24863 7.13496 numMergedOcc 0
9 mol 219 unq 1 iso 0 dist 9.65487 10.1996 8.72341 12.2547 4.24863 7.13496 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 9.46077 4.25439 7.03647 9.14778 6.01175 8.99496 numMergedOcc 0
11 mol 225 unq 1 iso 0 dist 8.65437 5.21233 7.03647 12.9433 6.01175 8.99496 numMergedOcc 0
12 mol 251 unq 0 iso 0 dist 9.31994 12.3736 6.32455 11.1831 3.43331 8.89433 numMergedOcc 0
13 mol 251 unq 1 iso 0 dist 4.63025 6.87139 6.32455 5.34851 3.43331 8.89433 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 8.14345 5.0262 4.98888 10.3663 6.95971 9.05363 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 8.55542 13.1038 9.58747 17.6456 11.8782 5.43053 numMergedOcc 0
16 mol 266 unq 1 iso 0 dist 8.93788 13.1038 7.50074 17.6456 11.6181 5.43053 numMergedOcc 0
17 mol 292 unq 0 iso 0 dist 5.43095 4.49811 8.25719 10.1584 11.6201 8.35169 numMergedOcc 0
18 mol 292 unq 1 iso 0 dist 5.43095 4.49811 8.25719 6.38051 3.41551 7.7557 numMergedOcc 0
19 mol 292 unq 2 iso 0 dist 8.46523 7.24712 8.25719 14.9992 11.6201 8.35169 numMergedOcc 0
20 mol 292 unq 3 iso 0 dist 8.46523 7.24712 8.25719 10.6314 3.41551 7.7557 numMergedOcc 0
