Peptide_00195.sdf
  ChemDraw06262422352D

 46 46  0  0  1  0  0  0  0  0999 V2000
    3.5214    4.0051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5502   -2.9142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2227    2.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5813    2.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8203    1.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2582    0.7288    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1891    2.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4020    3.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5889    1.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9381    1.5433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7848    1.7149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7343    3.7579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1630    2.3947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553    2.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7682    2.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4714   -0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2294   -0.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8372   -1.4432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9093    0.5071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3795   -2.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1836   -1.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4256   -1.0703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2005   -2.8493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4016   -3.8431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3680   -2.7904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5810   -3.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9732   -2.4800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862   -2.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5784   -2.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7913   -2.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5573   -1.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9994   -1.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1826   -1.4402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098   -2.7195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1844   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9205   -2.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7257   -2.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9732   -1.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -1.7531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0889   -2.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6469   -3.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3994   -4.0051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2837   -2.7896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5502   -2.9142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3 12  1  0      
  9 20  1  0      
 18 23  1  0      
 21 35  1  0      
 32 41  1  0      
 39 45  1  0      
 43 46  1  0      
  8  3  2  0      
  3  4  1  0      
  4  7  1  6      
  4  5  1  0      
  5  6  1  0      
 15 14  2  0      
 15 13  1  0      
 16 15  1  0      
 11  9  2  0      
  9 10  1  0      
 10 12  1  0      
 10 16  1  1      
 13  1  1  0      
 20 17  1  0      
 17 18  1  0      
 18 19  2  0      
 27 26  1  0      
 27 25  1  0      
 28 27  2  0      
 29 28  1  0      
 30 29  1  0      
 31 30  1  0      
 24 21  2  0      
 21 22  1  0      
 22 23  1  0      
 22 31  1  1      
 26  2  1  0      
 37 34  1  0      
 36 32  2  0      
 33 32  1  6      
 33 35  1  0      
 33 37  1  0      
 41 38  1  0      
 38 39  1  0      
 39 40  2  0      
 45 42  1  0      
 42 43  1  0      
 43 44  2  0      
 34  6  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SDS EXP  1   1
M  SAL   1  1   1
M  SBL   1  1  20
M  SMT   1 H
M  SCL   1 LGRP
M  STY  1   2 SUP
M  SLB  1   2   2
M  SDS EXP  1   2
M  SAL   2  1   2
M  SBL   2  1  34
M  SMT   2 H
M  SCL   2 LGRP
M  STY  1   3 SUP
M  SLB  1   3   3
M  SDS EXP  1   3
M  SAL   3  1  46
M  SBL   3  1   7
M  SMT   3 OH
M  SCL   3 LGRP
M  END
$$$$
