REMARK  Name = BDB003491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.022   2.494  -0.867  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1       -1.345   1.284  -1.487  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -0.690   0.111  -1.099  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.318   0.148  -0.127  0.00  0.00    +0.164 A 
ATOM      5  C   LIG    1        0.624   1.358   0.506  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.043   2.529   0.132  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -2.247   4.685  -1.568  0.00  0.00    -0.143 NA
ATOM      8  C   LIG    1       -1.694   3.699  -1.251  0.00  0.00    +0.121 C 
BRANCH   7  11
ATOM      9  N   LIG    1       -3.374   7.060  -2.115  0.00  0.00    -0.102 NA
ATOM     10  C   LIG    1       -2.304   6.901  -1.129  0.00  0.00    +0.306 C 
ATOM     11  N   LIG    1       -1.743   5.768  -0.845  0.00  0.00    -0.105 NA
ATOM     12  N   LIG    1       -1.840   8.091  -0.420  0.00  0.00    -0.102 NA
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  13
ATOM     13  O   LIG    1       -1.012  -1.056  -1.745  0.00  0.00    -0.468 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -1.889  -1.756  -1.024  0.00  0.00    +0.231 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.820  -2.508  -0.243  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -4.073  -2.833  -0.766  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -4.981  -3.564   0.002  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.637  -3.970   1.292  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.385  -3.646   1.815  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -2.475  -2.915   1.048  0.00  0.00    +0.008 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   4  21
ATOM     21  O   LIG    1        0.936  -1.024   0.230  0.00  0.00    -0.468 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.260  -0.951   0.098  0.00  0.00    +0.231 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.681  -0.871  -0.044  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.237  -0.058  -1.034  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        5.624   0.025  -1.171  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.454  -0.703  -0.318  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.898  -1.515   0.672  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.511  -1.599   0.809  0.00  0.00    +0.008 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 8