ADC HE-S2
     RDKit          2D

 43 46  0  0  1  0  0  0  0  0999 V2000
   -1.1008    9.1443    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5840    7.7243    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    6.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0790    5.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5504    4.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0336    3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5050    3.1726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0454    2.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756    6.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9881    1.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4595    1.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9427    0.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9545   -1.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4831   -0.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9999    0.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4377   -2.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4495   -3.6361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4613   -4.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3210   -2.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5779   -4.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9899   -4.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0017   -5.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -5.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471   -3.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0353   -2.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5067   -3.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4243   -3.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9075   -2.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789   -1.8866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8620   -0.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8738    0.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4024    0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9193   -1.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3334   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8166    1.2450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8284    2.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3570    2.0819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3116    3.7936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3216   -1.3035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7930   -1.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7812   -2.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2526   -1.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2408   -2.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  9  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  7 10  1  0
 10 15  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 16  1  0
 14 15  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 18 21  1  0
 21 26  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 27  1  0
 25 26  2  0
 27 28  1  0
 28 33  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 30 34  1  0
 31 32  1  0
 31 37  1  0
 32 33  2  0
 34 35  2  0
 34 39  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
M  CHG  1  17   1
M  END
>  <s_m_entry_id>  (1) 
29

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
