361
 OpenBabel09292113343D

 44 45  0  0  1  0  0  0  0  0999 V2000
    1.7331    2.4028    2.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6343    1.0131    3.0135 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5995    0.2318    2.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1906    0.4498    1.3985 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7051   -1.0417    3.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1016   -1.5769    3.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0408   -1.2262    4.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3069   -1.7930    4.1511 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3219   -1.3814    5.1317 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7818   -0.4963    6.1301 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5740    0.7190    6.1816 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9519    1.8713    5.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7677    2.3119    6.0289 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0877    3.6903    5.2349 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.6003    2.6717    4.1802 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3307    3.9166    6.5578 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4078    5.0688    4.4409 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9259    0.3291    5.5981 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7485   -0.2732    6.6161 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5512   -0.6821    4.5154 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6000   -1.6179    4.2375 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7143   -1.0374    3.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6463   -2.7950    3.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6928   -3.4456    3.2739 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -3.0850    2.2964 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4585   -2.5690    2.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6680   -2.9638    1.3574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7553    2.8544    2.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0031    2.5775    1.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4422    2.8796    3.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898   -1.7682    2.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3989   -0.8504    4.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170   -0.4715    4.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6360   -2.2924    5.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6494    0.9943    7.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7370    1.5711    4.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6506    2.7169    5.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4927    1.1755    5.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1985   -0.9423    7.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2550   -0.1719    3.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4185   -1.8390    3.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2224   -0.3238    4.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4100   -0.5516    2.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -3.7922    1.6280 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  2  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 34  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 35  1  1  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  6  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  6  0  0  0
 21 22  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  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 44  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  2  16  -1  17  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
