390
 OpenBabel09292113333D

 39 40  0  0  1  0  0  0  0  0999 V2000
    5.3010    0.8348    5.0595 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9093   -0.2339    4.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1279   -1.3880    4.6568 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2295    0.1450    3.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2120    0.0870    1.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9468    1.1365    1.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8059    1.1112    0.3843 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4170    2.3828   -0.0521 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7495    3.2213    1.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2616    4.5593    0.8046 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9878    4.8826    1.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2603    4.9832    2.9767 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9130    5.3927    3.9818 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.4567    6.3653    2.8743 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6039    3.8673    3.9474 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5658    5.8022    4.9868 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0008    4.6094   -0.7028 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2204    4.8056   -1.4634 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5143    3.2005   -0.9954 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6862    2.8877   -2.3824 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9532   -0.0562   -0.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9383   -0.3110   -1.7021 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2107   -1.1313    0.0572 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3184   -1.1621    1.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6268   -2.1507    1.3011 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292    0.6847    5.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0864    1.8115    4.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966    1.1491    3.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3827   -0.5305    2.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8686    2.0723    2.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3704    2.1659   -0.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0580    5.2506    1.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1984    4.1461    1.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6618    5.8534    1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2965    5.3822   -1.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9460    4.8962   -0.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4560    3.0805   -0.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4724    3.4054   -2.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2712   -1.9773   -0.4861 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
  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 31  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 10 32  1  1  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  6  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  1  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  15  -1  16  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
