440
 OpenBabel09292113353D

 42 44  0  0  1  0  0  0  0  0999 V2000
    1.0821    0.4607    0.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    0.4049    0.2884 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2253    1.4680   -0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8722    2.6654    0.3264 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.5522    3.7726   -0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2971    4.8882    0.4089 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5819    3.5154   -1.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8429    2.2398   -1.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8841    2.2860   -2.2980 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5565    1.1506   -2.9030 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0398   -0.2629   -2.5905 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7339   -0.8800   -1.4900 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3146   -0.9917   -3.8884 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6853   -1.4488   -3.8058 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1080    0.0976   -4.9455 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6504    0.2136   -5.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044    1.0757   -6.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0252    1.3080   -7.2109 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7043    2.3783   -8.0918 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -0.1924   -7.5849 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4459    1.5404   -7.8780 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5554    1.3330   -4.3218 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1871    3.5671   -2.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4935    4.3329   -1.6758 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.5779    5.7652   -1.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1910    1.1620   -0.9637 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141   -0.5603    0.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976    0.9105   -0.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245    1.0125    1.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7189   -0.4115   -0.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6039    1.2294   -2.5795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9679   -0.3204   -2.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3981   -1.4648   -1.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6799   -1.8744   -4.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1110   -1.2359   -4.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7568   -0.0712   -5.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0063    0.6273   -4.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2923   -0.7833   -5.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9230    3.9224   -3.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4026    6.1654   -2.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7730    5.9861   -0.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6428    6.2361   -1.8091 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 31  1  1  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  1  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  6  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 15 36  1  6  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  CHG  3  20  -1  21  -1  24   1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
