0 mol 60 unq 0 iso 0 dist 6.27749 6.02523 7.7654 11.7103 8.82176 7.76481 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.02288 7.09483 5.36012 6.28525 8.03303 9.94048 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 9.02288 4.68175 6.3777 6.28525 8.03303 6.88106 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 9.58544 11.341 5.36012 5.32605 8.03303 9.94048 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 9.58544 10.0459 6.3777 5.32605 8.03303 6.88106 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 6.85381 5.46269 9.90769 4.26804 8.729 7.63956 numMergedOcc 0
6 mol 178 unq 0 iso 0 dist 8.0974 11.7183 9.63185 5.49143 4.92088 6.80181 numMergedOcc 0
7 mol 210 unq 0 iso 0 dist 9.67457 5.02037 6.13878 13.9851 5.37446 9.83001 numMergedOcc 0
8 mol 214 unq 0 iso 0 dist 8.49704 17.1631 9.92165 5.20422 6.38157 13.4719 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 7.31105 10.1832 5.39218 12.6425 5.45036 7.67381 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 7.31105 10.1832 5.39218 12.3625 9.97586 10.0433 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 8.7347 13.6797 6.77368 11.5459 8.48341 6.00427 numMergedOcc 0
12 mol 222 unq 1 iso 0 dist 8.7347 9.50337 7.73634 11.5459 8.48341 10.8503 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 5.81927 5.00751 7.69358 6.31492 8.15467 11.2853 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 6.09782 5.00751 7.57187 6.31492 9.1925 11.2853 numMergedOcc 0
15 mol 258 unq 2 iso 0 dist 8.58088 5.27718 9.04358 13.2039 9.53063 9.27882 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 9.02749 10.3702 8.88221 7.47773 7.52109 5.53273 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 9.02749 10.3702 8.88221 9.5741 7.44083 10.3605 numMergedOcc 0
18 mol 274 unq 2 iso 0 dist 9.02749 14.5909 9.65027 7.47773 7.52109 8.13026 numMergedOcc 0
19 mol 274 unq 3 iso 0 dist 9.02749 14.5909 9.65027 9.5741 7.44083 5.99306 numMergedOcc 0
