Monobromomaleimide-PEG3
     RDKit          2D

 26 27  0  0  1  0  0  0  0  0999 V2000
  -13.5596   -0.2227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2099   -0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9682   -0.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6185   -0.6901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3769    0.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0272   -0.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7856    0.3387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4359   -0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1942    0.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8446   -0.1287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6029    0.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7468    0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9884    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3991    0.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3199    1.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8191    1.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5263    0.2025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0122   -0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0518    1.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2760   -1.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9532   -2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7478   -3.6726    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8718   -1.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3952   -1.4110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4783    2.8159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374    2.3992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  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
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 26  1  0
 14 15  2  0
 15 16  1  0
 15 25  1  0
 16 17  1  0
 17 18  1  0
 17 23  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 25 26  2  0
M  END
>  <s_m_entry_id>  (1) 
21

>  <s_m_entry_name>  (1) 
Monobromomaleimide-PEG3.1

>  <s_m_Source_Path>  (1) 
D:\Schrodinger_2023-1\projects\ligprep_2

>  <s_m_Source_File>  (1) 
ligprep_2-out.maegz

>  <i_m_Source_File_Index>  (1) 
1

>  <idx>  (1) 
1

>  <s_m_source_file>  (1) 
ligprep_2.maegz

>  <i_m_source_file_index>  (1) 
2

>  <i_lp_mmshare_version>  (1) 
61128

>  <i_f3d_flags>  (1) 
0

>  <r_lp_tautomer_probability>  (1) 
1

>  <s_lp_Force_Field>  (1) 
S-OPLS

>  <r_lp_Energy>  (1) 
11.336548

>  <b_lp_Chiralities_Consistent>  (1) 
1

>  <s_lp_Variant>  (1) 
Monobromomaleimide-PEG3-1

>  <s_m_job_name>  (1) 
ligprep_2

$$$$
