F554443
     RDKit          2D

 62 64  0  0  1  0  0  0  0  0999 V2000
    3.2428   -3.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4267   -2.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8163   -2.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0220   -4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381   -5.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4485   -4.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2646   -5.7229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -5.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0003   -2.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3899   -2.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5738   -1.6825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9634   -2.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3681   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5520    0.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3463    2.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9416    0.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9785    0.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7728    1.8540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7946   -0.5529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3832    2.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1775    3.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7879    4.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3614    4.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1993    1.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8097    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4050    0.0119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6040    3.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6257    1.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8314   -0.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2210   -0.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6475   -1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -2.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2361    1.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0522    0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0304    3.1921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3592    3.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3374    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213    0.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5431    2.8358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4721   -1.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8827   -1.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8037   -0.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9624    0.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4725    2.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9491    2.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9157    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4056   -0.0382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3924    1.6359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3589    0.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8488   -0.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8356    0.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8021   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2788   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2454   -1.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7353   -2.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2586   -2.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2920   -1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8154   -2.0688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3721   -1.1852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4593    3.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5059    3.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0160    4.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  1  6  1  0
  2  3  1  0
  3  4  2  0
  3  9  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 17  1  0
 14 15  1  0
 14 16  1  0
 17 18  1  0
 17 19  2  0
 18 20  1  0
 20 21  1  0
 20 24  1  0
 21 22  1  0
 21 23  1  0
 24 25  1  0
 24 26  2  0
 25 27  1  0
 25 28  1  0
 28 29  1  0
 28 33  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 33 34  1  0
 33 35  1  0
 34 37  1  0
 35 36  1  0
 37 38  1  0
 37 39  2  0
 38 43  1  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 44 61  1  0
 45 46  1  0
 45 60  1  0
 46 47  2  0
 46 48  1  0
 48 49  1  0
 49 50  1  0
 49 51  1  0
 50 58  1  0
 50 59  2  0
 51 52  1  0
 52 57  1  0
 52 53  2  0
 53 54  1  0
 54 55  2  0
 55 56  1  0
 56 57  2  0
 61 62  1  0
M  END
>  <s_m_entry_id>  (1) 
11

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
