0  B9R0.45  CCCCCCCCCF OF18868 [1,0,0,0,0,0|2,0,1]=4
1  B8R0.4  CCCCCCCCF OF18917 [2,0,0,0,0,0|1,0,1]=4
2  B8R0.4  CCCC[NH2+]CCCC OF13299 [2,0,0,0,0,0|1,0,1]=4
3  B10R0.71  CCCCCCCCCCF OF13135 [1,1,0,0,0,0|1,0,1]=4