REMARK  Name = BDB031316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.760   0.064  -0.029  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        2.549   0.436  -0.641  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.359   0.094  -0.018  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -0.046   0.358  -0.437  0.00  0.00    +0.149 C 
ATOM      5  N   LIG    1       -0.840  -0.245   0.628  0.00  0.00    -0.263 N 
ATOM      6  C   LIG    1       -0.019  -0.822   1.605  0.00  0.00    +0.251 C 
ATOM      7  O   LIG    1       -0.288  -1.412   2.635  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.370  -0.600   1.184  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        2.541  -0.982   1.814  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.749  -0.643   1.196  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.264  -0.219   0.620  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -2.954   0.404  -0.439  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -4.331   0.403  -0.401  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1       -5.048  -0.184   0.634  0.00  0.00    +0.067 A 
ATOM     15  N   LIG    1       -6.402  -0.013   0.374  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1       -7.176  -0.326   0.936  0.00  0.00    +0.170 HD
ATOM     17  C   LIG    1       -6.543   0.686  -0.833  0.00  0.00    +0.325 A 
ATOM     18  O   LIG    1       -7.585   1.012  -1.370  0.00  0.00    -0.247 OA
ATOM     19  C   LIG    1       -4.423  -0.801   1.685  0.00  0.00    +0.029 A 
ATOM     20  N   LIG    1       -5.245   0.938  -1.304  0.00  0.00    -0.306 N 
ATOM     21  H   LIG    1       -5.050   1.429  -2.160  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1       -3.019  -0.812   1.668  0.00  0.00    +0.025 A 
ENDBRANCH   5  11
BRANCH   1  23
ATOM     23  C   LIG    1        5.027   0.441  -0.715  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        5.059   1.051  -1.772  0.00  0.00    -0.245 OA
BRANCH  23  26
ATOM     25  C   LIG    1        7.358   0.343  -0.608  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        6.103   0.016  -0.008  0.00  0.00    -0.464 OA
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 3