REMARK  Name = BDB037011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.399   0.236   0.176  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.298   1.049   0.132  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        1.247   2.261   0.043  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.129   0.179   0.219  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.584  -1.122   0.270  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.285  -2.185   0.354  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.654  -1.885   0.384  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -2.152  -0.552   0.316  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -1.218   0.495   0.244  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        2.043  -1.085   0.213  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        2.751  -2.072   0.183  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        7.705   0.523  -1.209  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        6.535   0.571  -0.842  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.506   0.529  -1.750  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.775   0.394  -2.715  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.153   0.506  -1.494  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        3.348   0.371  -2.413  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        3.751   0.731  -0.032  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.794   0.120   0.900  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        6.151   0.744   0.610  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1       -3.540  -0.339   0.362  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1       -4.299  -1.013  -0.720  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.822  -0.935  -0.458  0.00  0.00    +0.100 C 
ATOM     24  N   LIG    1       -6.321   0.437  -0.235  0.00  0.00    -0.313 NA
ATOM     25  H   LIG    1       -6.133   0.983  -1.076  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -5.554   1.032   0.879  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1       -4.027   1.030   0.643  0.00  0.00    +0.120 C 
ENDBRANCH   8  21
TORSDOF 2