DTSPEG
     RDKit          2D

 62 64  0  0  1  0  0  0  0  0999 V2000
   32.0936   -0.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8164    0.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4966   -0.6937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2194    0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8995   -0.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6224    0.1670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3025   -0.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1234   -0.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462    0.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5263    0.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2492    0.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9293    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3478    0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0254    0.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7055   -0.4716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4284    0.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9144   -0.2494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6373    0.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3174   -0.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0403    0.6113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7204   -0.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4433    0.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1085   -0.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8313    0.3892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5114   -0.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2343    0.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6677    0.1949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448    0.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2647    0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5419    1.0556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8617    0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1389    1.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4588    0.4170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7359    1.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0558    0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3329    1.2778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6528    0.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9299    1.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2498    0.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4491   -0.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9246   -1.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6373    0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6022    1.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3634   -1.8826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8721    2.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5735   -2.4698    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7268   -3.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1240    0.4017    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -21.6948    1.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.3757   -5.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.5289   -6.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0333   -6.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3844   -4.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2311   -3.5938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7789    2.9767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -21.3497    4.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.8364    4.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.7523    3.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.1815    1.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4135   -0.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6906   -0.8418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4562    1.4443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1 60  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7 14  1  0
  8  9  1  0
  8 22  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 27  1  0
 14 15  1  0
 15 16  1  0
 16 23  1  0
 17 18  1  0
 17 26  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 43  1  0
 39 40  1  0
 40 41  1  0
 40 44  2  0
 41 42  1  0
 41 46  1  0
 42 43  1  0
 42 48  1  0
 43 45  2  0
 46 47  1  0
 47 54  1  0
 47 50  2  0
 48 49  1  0
 49 59  1  0
 49 55  2  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 55 56  1  0
 56 57  2  0
 57 58  1  0
 58 59  2  0
 60 61  1  0
 60 62  2  0
M  END
>  <s_m_entry_id>  (1) 
4

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
