REMARK  Name = BDB001758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.984  -2.288  -0.011  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        0.008  -1.296  -0.065  0.00  0.00    -0.162 N 
ATOM      3  C   LIG    1       -1.391  -1.444  -0.108  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.835  -2.589   0.011  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1        0.601  -0.076  -0.002  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        1.896  -0.394   0.099  0.00  0.00    +0.219 A 
ATOM      7  N   LIG    1        2.166  -1.737   0.104  0.00  0.00    -0.190 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.374  -0.332  -0.257  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -3.655  -0.505   0.291  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -4.620   0.495   0.165  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.317   1.672  -0.516  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.053   1.846  -1.077  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.084   0.846  -0.955  0.00  0.00    +0.013 A 
ENDBRANCH   3   8
BRANCH   6  14
ATOM     14  C   LIG    1        3.023   0.684   0.201  0.00  0.00    +0.173 A 
ATOM     15  O   LIG    1        2.823   2.037   0.199  0.00  0.00    -0.460 OA
ATOM     16  C   LIG    1        4.043   2.623   0.304  0.00  0.00    +0.196 A 
ATOM     17  C   LIG    1        5.032   1.671   0.372  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        4.375   0.419   0.306  0.00  0.00    +0.053 A 
ENDBRANCH   6  14
BRANCH   1  19
ATOM     19  N   LIG    1        0.726  -3.609  -0.077  0.00  0.00    -0.327 N 
ATOM     20  H   LIG    1        1.444  -4.245   0.256  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -0.230  -3.931   0.090  0.00  0.00    +0.145 HD
ENDBRANCH   1  19
TORSDOF 3