BA3157.sdf
  ChemDraw10292514472D

 75 79  0  0  1  0  0  0  0  0999 V2000
   -5.3585    2.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585    1.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    1.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296    1.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296    2.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    2.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    0.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -0.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    1.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -0.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -1.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.1721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -2.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -2.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -2.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.9971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.1721    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2404    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.9971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    1.0654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    1.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.0654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    2.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    2.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    2.7154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    3.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    3.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    3.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    4.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    5.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    4.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -2.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -2.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -3.8846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -3.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -4.7096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -5.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -4.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -3.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -4.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -3.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -3.4721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -3.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -3.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585   -4.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585   -3.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -3.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -3.4721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9703   -5.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6348   -6.0154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1857   -5.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0730    2.7154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.0654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -1.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -2.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -0.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585   -1.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -0.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585   -2.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -2.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -2.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    6.0154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  7  8  1  0      
  8  9  1  0      
  9 10  1  0      
 10  4  1  0      
  8 11  2  0      
 12 13  1  0      
  9 14  1  6      
 12 15  2  0      
 15 16  1  0      
 16 17  2  0      
 17 18  1  0      
 18 13  2  0      
 19 20  1  0      
 20 21  1  6      
 21 14  1  0      
 19 22  1  0      
 22 23  2  0      
 24 25  1  0      
 25 20  1  0      
 26 27  1  0      
 27 24  1  0      
 28 29  1  0      
 29 30  1  0      
 30 26  1  0      
 29 31  2  0      
 32 33  2  0      
 33 34  1  0      
 30 34  1  6      
 35 36  1  0      
 36 33  1  0      
 36 37  1  1      
 35 38  1  0      
 38 39  2  0      
 38 40  1  0      
 40 41  2  0      
 41 42  1  0      
 42 43  2  0      
 43 39  1  0      
 17 44  1  0      
 45 44  1  1      
 45 22  1  0      
 46 47  2  0      
 47 48  1  0      
 48 45  1  0      
 49 50  1  0      
 50 51  1  0      
 52 51  1  1      
 52 47  1  0      
 53 54  2  0      
 54 55  1  0      
 55 52  1  0      
 57 56  1  1      
 57 54  1  0      
 58 59  2  0      
 59 60  1  0      
 60 56  1  0      
 61 59  1  0      
 49 62  1  0      
 62 63  2  0      
 63 64  1  0      
 64 50  2  0      
  1 65  1  0      
 21 66  2  0      
 28 67  1  0      
 67 68  1  0      
 67 69  1  1      
 69 70  1  0      
 70 71  1  0      
 70 72  2  0      
 68 73  2  0      
 68 74  1  0      
 74 57  1  0      
 42 75  1  0      
M  END
$$$$
