0 mol 7 unq 0 iso 0 dist 8.8255 9.69326 8.88982 12.6403 16.991 9.67164 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.60449 5.67022 7.0208 12.6581 5.8449 8.84686 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 6.51872 5.67022 7.28563 12.6581 8.29358 8.84686 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 9.80961 10.1192 7.99003 14.9392 6.72919 9.69044 numMergedOcc 0
4 mol 108 unq 0 iso 0 dist 7.35351 8.26912 5.45787 10.284 5.45 7.93045 numMergedOcc 0
5 mol 108 unq 1 iso 0 dist 9.73273 5.08159 5.45787 11.9402 5.45 7.93045 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 7.36326 8.73402 7.2461 11.2997 4.10689 8.49678 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.96762 5.98221 5.11612 8.54304 3.85674 6.24825 numMergedOcc 0
8 mol 217 unq 0 iso 0 dist 8.75987 5.33123 7.52229 9.41353 3.64097 9.62437 numMergedOcc 0
9 mol 235 unq 0 iso 0 dist 6.69765 6.83244 8.79626 10.3067 9.92254 5.1823 numMergedOcc 0
10 mol 235 unq 1 iso 0 dist 6.69765 6.83244 8.79626 6.92276 5.66713 5.70635 numMergedOcc 0
11 mol 235 unq 2 iso 0 dist 5.99439 7.64039 8.79626 11.507 9.92254 5.1823 numMergedOcc 0
12 mol 235 unq 3 iso 0 dist 5.99439 7.64039 8.79626 8.75776 5.66713 5.70635 numMergedOcc 0
13 mol 243 unq 0 iso 0 dist 8.10349 5.13362 8.69557 8.96099 4.02386 7.10671 numMergedOcc 0
14 mol 243 unq 1 iso 0 dist 8.10349 5.13362 8.69557 11.2306 8.36019 8.67156 numMergedOcc 0
15 mol 243 unq 2 iso 0 dist 6.33501 5.8297 8.69557 6.56525 4.02386 7.10671 numMergedOcc 0
16 mol 243 unq 3 iso 0 dist 6.33501 5.8297 8.69557 5.46817 8.36019 8.67156 numMergedOcc 0
17 mol 243 unq 4 iso 0 dist 6.67803 5.8297 4.89168 6.56525 6.41173 7.10671 numMergedOcc 0
18 mol 243 unq 5 iso 0 dist 6.67803 5.8297 4.89168 5.46817 5.7044 8.67156 numMergedOcc 0
19 mol 280 unq 0 iso 0 dist 9.63604 4.56991 9.0021 10.3783 9.81388 6.02353 numMergedOcc 0
