377
 OpenBabel09292113323D

 42 44  0  0  1  0  0  0  0  0999 V2000
    1.1178    0.0994   -0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5490    0.0247   -0.0571 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2028   -0.9349   -0.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7346   -1.2715   -2.0767 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130   -2.1809   -2.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7325   -2.5586   -4.4175 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2712   -2.9655   -5.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5193   -2.8558   -2.4512 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9497   -2.4975   -1.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3730   -1.5751   -0.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0840   -1.4856    0.7888 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0943   -2.3310    0.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433   -2.9742   -0.5641 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9260   -4.0009   -1.0801 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3864   -4.8548   -0.0167 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8217   -5.0128   -0.1437 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5743   -4.1691    0.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2814   -4.6041    2.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1561   -3.7009    3.3922 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.4342   -4.2830    2.7460 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4212   -2.4571    2.8425 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.0307   -2.7977    4.5805 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.1577   -4.5822   -1.5712 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8898   -5.6407   -2.5281 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1426   -3.4791   -1.8492 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9091   -3.3751   -3.2667 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7196    0.8804    0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6302   -0.8435    0.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8434    0.3674   -1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8854   -0.0549    0.9042 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0264   -3.2966   -6.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8162   -3.7768   -4.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9133   -2.0831   -5.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8736   -2.5182    1.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3144   -4.6385   -1.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0376   -6.0728    0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2983   -3.1186    0.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6437   -4.2709    0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1924   -4.2625   -1.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6769   -6.4396   -2.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4795   -2.5054   -1.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1724   -4.2546   -3.6202 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 10  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 14 35  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 16 36  1  1  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 39  1  6  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  1  0  0  0
 26 42  1  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
