REMARK  Name = BDB011653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.546   0.433  -1.975  0.00  0.00    +0.050 C 
ATOM      2  C   LIG    1       -0.888  -0.977  -1.670  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -2.152  -1.536  -1.636  0.00  0.00    +0.169 A 
ATOM      4  O   LIG    1       -2.045  -2.865  -1.383  0.00  0.00    -0.356 OA
ATOM      5  N   LIG    1       -0.722  -3.208  -1.229  0.00  0.00    -0.073 NA
ATOM      6  C   LIG    1       -0.016  -2.076  -1.375  0.00  0.00    +0.171 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.523  -0.984  -1.846  0.00  0.00    +0.187 C 
ATOM      8  O   LIG    1       -3.654   0.163  -0.990  0.00  0.00    -0.365 OA
ATOM      9  C   LIG    1       -4.389  -0.084   0.215  0.00  0.00    +0.125 C 
ATOM     10  C   LIG    1       -5.851  -0.404  -0.147  0.00  0.00    +0.032 C 
ATOM     11  C   LIG    1       -5.968  -1.273  -1.402  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -4.662  -1.999  -1.683  0.00  0.00    +0.040 C 
BRANCH   9  13
ATOM     13  C   LIG    1       -4.208   1.121   1.189  0.00  0.00    -0.011 C 
ATOM     14  C   LIG    1       -5.018   0.905   2.480  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -4.630   2.457   0.547  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -2.715   1.236   1.569  0.00  0.00    +0.013 C 
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   6  17
ATOM     17  C   LIG    1        1.450  -2.100  -1.238  0.00  0.00    +0.270 C 
ATOM     18  N   LIG    1        1.958  -1.005  -0.572  0.00  0.00    -0.274 N 
ATOM     19  H   LIG    1        1.302  -0.285  -0.285  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        2.124  -3.014  -1.701  0.00  0.00    -0.268 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.257  -0.685  -0.284  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.557   0.694   0.209  0.00  0.00    +0.289 A 
ATOM     23  O   LIG    1        2.680   1.505   0.471  0.00  0.00    -0.264 OA
ATOM     24  N   LIG    1        4.939   0.803   0.341  0.00  0.00    -0.246 N 
ATOM     25  N   LIG    1        5.503  -0.483   0.090  0.00  0.00    -0.287 N 
ATOM     26  C   LIG    1        6.736  -0.456  -0.707  0.00  0.00    +0.170 C 
ATOM     27  C   LIG    1        4.439  -1.320  -0.299  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1        4.713  -2.761  -0.591  0.00  0.00    +0.067 C 
BRANCH  24  29
ATOM     29  C   LIG    1        5.567   1.659   1.350  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1        5.292   3.139   1.085  0.00  0.00    +0.032 C 
ATOM     31  C   LIG    1        5.151   1.274   2.771  0.00  0.00    +0.032 C 
ENDBRANCH  24  29
ENDBRANCH  18  21
ENDBRANCH   6  17
TORSDOF 5