21
 OpenBabel09292113343D

 44 45  0  0  1  0  0  0  0  0999 V2000
    0.2703    1.4981    0.4182 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6216    1.0826    0.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5539    1.7446   -0.4380 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2028    1.3199   -1.7769 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7840    2.4761   -2.5396 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6276    2.1540   -3.3737 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3306    1.2657   -2.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4007    0.9311   -3.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4044   -0.0981   -3.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5107   -1.2540   -4.1371 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2494   -1.9970   -4.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4262   -3.1544   -5.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1143   -4.0293   -5.4273 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910   -5.1315   -6.4929 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0594   -3.2032   -6.1434 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4534   -4.7109   -4.1992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5686    1.5878   -4.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.2780   -5.7496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6321    2.5267   -5.3029 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5031    2.8134   -4.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3401    3.5851   -5.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5227    3.6092   -1.5380 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7619    4.9134   -2.0648 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5090    3.2701   -0.4332 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7984    3.8178   -0.7857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2669    0.9389    1.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6535   -0.0056    0.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9323    1.3383    1.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5714    1.3829   -0.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6249    2.7393   -3.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1632    0.8052   -1.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3914    0.3759   -3.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1866   -0.4592   -2.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8081   -0.8978   -5.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9391   -2.3752   -3.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482   -1.3464   -4.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7196   -2.7956   -6.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1705   -3.8685   -4.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0844   -4.9802   -7.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7104    2.9656   -6.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    3.5762   -1.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7188    5.0852   -1.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2357    3.7070    0.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483    3.2032   -1.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 30  1  6  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  1  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  1  0  0  0
 25 44  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
