L2-MC
     RDKit          2D

 20 20  0  0  1  0  0  0  0  0999 V2000
   -7.0285    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5252    2.6213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0564    0.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5810    0.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6089   -0.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1335   -0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1614   -1.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3140   -1.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002   -2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2017   -3.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7197   -1.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4490   -0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4835    0.8335    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9414    0.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9759    1.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4338    1.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4684    2.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9622   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2489    1.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5038    0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  1 20  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 18  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 18  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 18 19  2  0
M  END
>  <s_m_entry_id>  (1) 
42

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
