REMARK  Name = BDB037000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.051  -0.643   0.977  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.685  -0.862   0.806  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.393  -0.116   0.126  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -1.563  -0.801   0.333  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -1.346  -1.964   1.006  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -2.144  -2.830   1.311  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -0.276   0.907  -0.522  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        0.074  -2.000   1.331  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        0.750  -2.980   2.034  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.113  -2.798   2.210  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        2.746  -1.653   1.687  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.841  -0.477  -0.283  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -2.791  -0.830  -1.773  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -2.029  -1.666  -2.254  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -3.724  -0.200  -2.567  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -3.703  -0.442  -3.548  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.611   0.785  -2.209  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.374   1.280  -3.033  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.643   1.169  -0.747  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -3.283   0.972  -0.094  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  23
ATOM     21  C   LIG    1        3.790   2.243   0.186  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1        4.005   0.989   1.049  0.00  0.00    +0.125 C 
ATOM     23  N   LIG    1        2.786   0.456   0.488  0.00  0.00    -0.326 N 
ATOM     24  C   LIG    1        2.331   1.758   0.072  0.00  0.00    +0.125 C 
BRANCH  21  25
ATOM     25  N   LIG    1        4.478   2.091  -1.110  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1        5.493   2.062  -1.037  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1        4.210   1.230  -1.594  0.00  0.00    +0.119 HD
ENDBRANCH  21  25
ENDBRANCH   1  23
TORSDOF 3