B1689.sdf
  ChemDraw02222011252D

 46 47  0  0  0  0  0  0  0  0999 V2000
    0.1973    0.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2127    0.0089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228    2.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1922    2.1538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2177    1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2024   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0274   -0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4374    0.0148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121    3.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1871    3.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2624    0.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724    0.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2573    1.4467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522    2.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4271    2.8727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0224    0.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0478    2.8639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6622    3.5915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975    0.7366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775   -0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5025   -0.6924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4425   -1.4142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2279    4.2957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0427    1.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2075   -1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4922    2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9074    1.4525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7324    1.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1423    2.1714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7273    2.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9022    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9175   -1.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7425   -1.4024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5076   -2.1213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326   -1.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4426   -2.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2676   -2.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0275   -2.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -3.5709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6775   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5025   -2.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -3.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1474   -4.2957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7374   -3.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1474    0.7424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  5  1  1  0      
  1 17  2  0      
  2  6  1  0      
  3  4  1  0      
 10  3  1  0      
  3 18  2  0      
  4  5  1  0      
  5 25  1  6      
  6  7  1  0      
  6 26  1  6      
  7  8  1  0      
  7 23  2  0      
  8 11  1  0      
  9 10  1  0      
 16  9  1  0      
 10 24  1  1      
 11 12  1  0      
 11 21  2  0      
 12 13  1  0      
 12 20  2  0      
 14 13  1  6      
 14 15  1  0      
 14 27  1  0      
 15 16  1  0      
 15 19  2  0      
 21 22  1  0      
 22 33  1  0      
 26 36  1  0      
 27 28  1  6      
 27 32  1  0      
 28 29  2  0      
 29 30  1  0      
 30 31  1  0      
 31 32  1  0      
 33 34  1  0      
 33 35  2  0      
 36 37  1  0      
 37 38  1  0      
 37 39  2  0      
 41 38  1  0      
 41 40  1  1      
 41 42  1  0      
 42 43  1  0      
 45 43  1  0      
 44 45  1  0      
 29 46  1  0      
V    1 0
V    2 1
V    3 2
V    4 3
V    5 4
V    6 5
V    7 6
V    8 7
V    9 8
V   10 9
V   11 10
V   12 11
V   13 12
V   14 13
V   15 14
V   16 15
V   17 16
V   18 17
V   19 18
V   20 19
V   21 20
V   22 21
V   23 22
V   24 23
V   25 24
V   26 25
V   27 26
V   28 27
V   29 28
V   30 29
V   31 30
V   32 31
V   33 33
V   34 34
V   35 35
V   36 36
V   37 37
V   38 38
V   39 39
V   40 40
V   41 41
V   42 42
V   43 43
V   44 44
V   45 45
M  END
$$$$
