0 mol 26 unq 0 iso 0 dist 9.07029 8.69142 10.5687 7.54726 8.6112 9.27369 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.30547 6.9762 12.8186 16.7996 9.47718 21.2846 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 9.12919 7.32157 11.2869 11.1775 5.96486 15.7719 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.32868 6.15011 11.8069 5.27016 9.61119 5.62309 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.35364 8.4204 10.2414 4.84407 8.36326 9.49995 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 4.9418 7.74778 5.01332 12.2608 9.57953 12.3752 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.00111 8.51206 9.80356 7.17914 7.59374 13.554 numMergedOcc 0
7 mol 146 unq 0 iso 0 dist 6.98479 9.64915 13.4704 6.98043 9.03955 14.848 numMergedOcc 0
8 mol 146 unq 1 iso 0 dist 6.98479 6.75663 3.98961 6.98043 9.03955 11.4903 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 5.67586 5.57798 4.02111 9.67496 7.10223 7.08477 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 6.72426 6.01599 4.33572 13.0867 9.75249 11.178 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 6.72426 5.42285 6.11369 13.0867 9.75249 9.54106 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 9.19569 8.59976 11.3012 14.3008 9.83308 9.43938 numMergedOcc 0
13 mol 169 unq 1 iso 0 dist 9.19569 9.71763 9.12553 14.3008 9.83308 5.51388 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 6.88947 9.36089 7.02086 15.0721 9.80584 16.1483 numMergedOcc 0
15 mol 192 unq 1 iso 0 dist 6.88947 9.36089 7.02086 12.6382 7.95713 14.4492 numMergedOcc 0
16 mol 192 unq 2 iso 0 dist 6.88947 8.25221 14.0195 15.0721 9.80584 21.8358 numMergedOcc 0
17 mol 192 unq 3 iso 0 dist 6.88947 8.25221 14.0195 12.6382 7.95713 20.2843 numMergedOcc 0
18 mol 192 unq 4 iso 0 dist 6.88947 6.64416 11.153 15.0721 9.80584 19.8978 numMergedOcc 0
19 mol 192 unq 5 iso 0 dist 6.88947 6.64416 11.153 12.6382 7.95713 18.3404 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 6.67272 9.37981 5.94294 5.70516 9.37229 11.0668 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 6.91126 4.46919 3.93066 9.7911 8.92054 10.8785 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 8.79625 6.9592 4.74121 4.46246 7.79408 6.81257 numMergedOcc 0
