343
 OpenBabel09292113313D

 49 50  0  0  1  0  0  0  0  0999 V2000
    1.0440   -0.0362   -0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5022   -0.0146   -0.1169 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1766   -1.2148   -0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5127   -1.2786   -0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3282   -2.5446   -0.0774 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6793   -3.6205   -0.7753 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6636   -4.8035    0.0730 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2856   -5.0219    0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740   -5.2696   -0.3605 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228   -5.4795    0.1194 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0720   -5.6776   -1.1851 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9071   -6.7051    1.0157 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5155   -4.1766    0.8481 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7460   -4.5426    1.1147 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0671   -4.7893    0.5662 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6255   -3.0426    1.3423 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8396   -2.5045    1.8752 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2713   -0.0124   -0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5084   -0.0134   -0.0712 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5415    1.1639   -0.0703 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2771    2.4227   -0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4951    3.0661    1.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3358    2.2622    2.2691 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7190    1.9667    1.7905 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4795    3.0384    3.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6575    3.7941    4.0897 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6842    2.7727    4.1783 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1469    1.2137   -0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    2.2867   -0.0605 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6440   -1.0530   -0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6876    0.4957   -1.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6820    0.4953    0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5665   -2.1243   -0.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2621   -2.3769   -0.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9143   -5.6524   -0.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -4.1417    1.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151   -5.8853    1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6592   -5.1314    2.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9574   -4.8239   -0.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8091   -2.8129    2.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5449   -3.0578    1.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7216    3.1313   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2401    2.2785   -0.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167    3.2743    1.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9658    4.0466    1.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8483    1.3135    2.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    2.7856    1.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6338    1.2360    1.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1450    2.1714    3.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  2  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 34  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 35  1  6  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  1  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  1  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  2  0  0  0  0
M  CHG  2  12  -1  13  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
