425
 OpenBabel09292113383D

 42 43  0  0  1  0  0  0  0  0999 V2000
    0.9121    2.4524    1.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3351    2.5538    1.1969 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9071    1.5378    1.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2666    0.6556    2.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4260    1.6976    1.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0196    0.6768    2.6975 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3893    0.6186    2.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3002    1.0765    1.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6808    1.0002    2.1321 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5682    1.4785    1.0555 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2293    0.7825   -0.1684 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4432    0.2485   -0.7600 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7194   -1.2017   -0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7938   -2.0969   -0.9431 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1041   -3.6646   -0.5351 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.5239   -3.8781   -1.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9808   -3.6567    0.9832 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.0351   -4.4532   -1.2676 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.5528    1.1532   -0.2275 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6103    2.4331   -0.9013 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1026    1.4125    1.2055 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6582    2.6483    1.6865 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1850    0.4920    3.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3449    0.5741    3.7139 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2708   -0.0851    4.1555 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9178   -0.0502    4.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1763   -0.4580    4.9149 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5386    3.3437    0.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4541    2.4120    2.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339    1.5727    0.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6600    2.6731    2.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7606    1.6414    0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0056    1.5304    0.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2852    2.5280    0.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3258    0.3280   -1.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6836   -1.3121    0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7221   -1.4643   -0.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542    0.7148   -0.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9430    2.4042   -1.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4575    0.5874    1.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9338    3.1206    0.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6425   -0.5071    4.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  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 21  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 35  1  6  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 38  1  6  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  1  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  2  17  -1  18  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
