REMARK  Name = BDB032947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.181   0.156   0.471  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.957   0.762  -0.036  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        0.870   1.728  -0.325  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.330  -1.045   0.677  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.666   0.624   0.485  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.342   1.072   0.707  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.105   2.383   1.158  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.167   3.266   1.343  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.467   2.843   1.088  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.715   1.533   0.667  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -3.893  -2.811  -0.494  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.082  -1.342  -0.211  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -2.889  -0.722   0.103  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -2.055  -1.314   0.121  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -5.190  -0.823  -0.272  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        2.200   0.154  -0.307  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        3.173   0.943  -0.937  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.436   0.422  -1.238  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        4.732  -0.903  -0.900  0.00  0.00    +0.126 A 
ATOM     20  C   LIG    1        3.774  -1.700  -0.266  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        2.513  -1.167   0.030  0.00  0.00    +0.025 A 
BRANCH  19  22
ATOM     22  N   LIG    1        6.056  -1.458  -1.211  0.00  0.00    +0.056 N 
ATOM     23  O   LIG    1        6.875  -0.713  -1.769  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        6.276  -2.636  -0.898  0.00  0.00    -0.126 OA
ENDBRANCH  19  22
ENDBRANCH   2  16
TORSDOF 4