0 mol 53 unq 0 iso 0 dist 9.5429 7.20005 12.1831 4.45141 9.72637 11.5885 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 7.69318 8.30291 13.6548 5.4275 6.42645 9.81276 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 9.91602 6.5136 6.40193 10.0655 9.64287 11.0573 numMergedOcc 0
3 mol 168 unq 0 iso 0 dist 5.45739 7.53748 8.76803 4.18108 6.24232 5.6125 numMergedOcc 0
4 mol 168 unq 1 iso 0 dist 5.45739 7.53748 8.76803 3.6038 6.13116 10.3143 numMergedOcc 0
5 mol 168 unq 2 iso 0 dist 6.75751 7.53748 10.1921 4.18108 8.1953 5.6125 numMergedOcc 0
6 mol 168 unq 3 iso 0 dist 6.75751 7.53748 10.1921 3.6038 8.16253 10.3143 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 8.30602 8.68992 6.53251 10.7165 8.25547 14.1482 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 4.45763 7.21035 6.98787 6.34768 7.01577 11.7531 numMergedOcc 0
9 mol 197 unq 0 iso 0 dist 8.96088 7.19387 8.75322 6.10739 6.05447 10.2521 numMergedOcc 0
10 mol 198 unq 0 iso 0 dist 8.80787 7.96375 5.80113 11.0465 6.13687 9.76973 numMergedOcc 0
11 mol 276 unq 0 iso 0 dist 5.39708 6.97104 5.75852 13.1666 9.97709 12.1756 numMergedOcc 0
12 mol 278 unq 0 iso 0 dist 9.03985 8.62414 13.9549 6.96416 9.24462 13.0065 numMergedOcc 0
13 mol 278 unq 1 iso 0 dist 9.03985 6.23184 9.61803 6.96416 9.24462 5.35705 numMergedOcc 0
