0  B9R0.45  CCCCCCCCCCl 8135AF [1,0,0,0,0,0|2,0,1]=4
1  B9R0.45  CCCCCCCCCS Q791 [1,0,0,0,0,0|1,0,2]=4
2  B9R0.45  C\C=C/CCCCCCC 7421AL [1,0,0,0,0,0|2,0,1]=4
3  B9R0.45  S=C=NCCCCN=C=S 0977AQ [1,0,0,0,0,0|1,0,2]=4