0 mol 7 unq 0 iso 0 dist 9.26914 12.1468 7.10621 9.14422 6.09254 7.21217 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 7.54869 5.50049 9.5589 4.54652 11.9881 6.59893 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 7.54869 5.50049 9.5589 7.42848 13.9079 5.59773 numMergedOcc 0
3 mol 54 unq 2 iso 0 dist 6.29729 5.50049 6.83299 4.54652 10.3564 6.59893 numMergedOcc 0
4 mol 54 unq 3 iso 0 dist 6.29729 5.50049 6.83299 7.42848 10.4238 5.59773 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 7.00844 4.99741 6.65595 6.27903 6.62193 5.83937 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 7.00844 4.99741 6.65595 7.40841 5.63638 8.82095 numMergedOcc 0
7 mol 60 unq 2 iso 0 dist 7.00844 5.54608 8.90863 7.40841 5.63638 6.27749 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 6.97123 7.20068 6.65721 15.7099 10.7369 9.62468 numMergedOcc 0
9 mol 61 unq 1 iso 0 dist 6.97123 7.20068 6.65721 8.88571 5.4671 5.92705 numMergedOcc 0
10 mol 61 unq 2 iso 0 dist 9.532 7.20068 6.72123 15.7099 11.5608 9.62468 numMergedOcc 0
11 mol 61 unq 3 iso 0 dist 9.532 7.20068 6.72123 8.88571 10.1513 5.92705 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 8.83265 6.69737 8.70481 10.1558 13.9156 6.89722 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 8.83265 6.69737 8.70481 11.414 11.2674 7.26679 numMergedOcc 0
14 mol 94 unq 0 iso 0 dist 9.91121 4.07853 7.89459 9.2775 5.81332 9.33801 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 9.09856 7.87833 9.28393 13.6778 10.0837 7.83619 numMergedOcc 0
16 mol 130 unq 1 iso 0 dist 9.09856 7.87833 9.28393 7.42373 7.40242 9.91643 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 6.2109 12.4997 6.80239 11.7344 7.96098 6.11955 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 6.94119 12.4052 9.0018 17.8485 11.5099 8.69888 numMergedOcc 0
19 mol 175 unq 1 iso 0 dist 6.94119 12.4052 9.0018 16.5143 12.1783 5.08206 numMergedOcc 0
20 mol 180 unq 0 iso 0 dist 8.31244 6.84196 9.62337 11.5402 9.76368 8.44989 numMergedOcc 0
21 mol 182 unq 0 iso 0 dist 9.92736 14.6185 9.31746 10.5 5.40949 7.86625 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 7.08106 5.42209 6.18308 11.6455 5.82028 9.67457 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 6.7946 6.32915 5.81334 11.8082 6.38066 9.29703 numMergedOcc 0
24 mol 231 unq 0 iso 0 dist 6.52115 12.4148 7.37839 10.1671 5.3251 7.79865 numMergedOcc 0
25 mol 231 unq 1 iso 0 dist 6.52115 14.0894 8.40182 10.1671 5.3251 6.14348 numMergedOcc 0
26 mol 231 unq 2 iso 0 dist 9.88437 5.20569 7.37839 10.9055 5.3251 7.79865 numMergedOcc 0
27 mol 231 unq 3 iso 0 dist 9.88437 8.35245 8.40182 10.9055 5.3251 6.14348 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 7.9828 7.97488 8.53687 11.9352 7.55268 6.77279 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 9.07855 15.5856 7.46176 14.7318 11.8501 9.58006 numMergedOcc 0
30 mol 259 unq 2 iso 0 dist 8.73296 6.69309 9.18903 11.9352 13.9868 9.58006 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 5.99069 6.99623 6.24356 12.536 10.0289 6.75305 numMergedOcc 0
