REMARK  Name = BDB046617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.259   0.800   0.066  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        0.646  -0.464   0.077  0.00  0.00    +0.110 C 
ATOM      3  N   LIG    1        0.072  -1.540  -0.745  0.00  0.00    -0.336 N 
ATOM      4  H   LIG    1        0.701  -2.336  -0.832  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -1.236  -1.906  -0.436  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.145  -0.988   0.084  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1       -3.470  -1.342   0.316  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -3.921  -2.628   0.011  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -3.036  -3.546  -0.549  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -4.382  -0.330   0.863  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1       -5.554  -0.593   1.109  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1       -3.841   0.914   1.074  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -4.457   1.635   1.437  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -2.554   1.284   0.827  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -1.707  -3.178  -0.786  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -1.722   0.391   0.372  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1        2.055  -0.274  -0.477  0.00  0.00    -0.027 A 
ATOM     18  C   LIG    1        2.285   0.352  -1.714  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        3.582   0.489  -2.214  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.665  -0.009  -1.494  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.453  -0.654  -0.278  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.158  -0.794   0.224  0.00  0.00    +0.005 A 
ENDBRANCH   2  17
BRANCH   1  24
ATOM     23  C   LIG    1       -0.145   3.326   0.398  0.00  0.00    +0.008 C 
ATOM     24  C   LIG    1        0.162   1.962   1.042  0.00  0.00    -0.006 C 
ATOM     25  C   LIG    1        1.607   1.990   1.542  0.00  0.00    +0.008 C 
ENDBRANCH   1  24
TORSDOF 2