REMARK  Name = BDB003740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.134   0.724  -0.765  0.00  0.00    -0.022 A 
ATOM      2  C   LIG    1       -1.307  -0.045  -0.474  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -2.309   0.847  -0.093  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -3.597   0.433   0.266  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -3.869  -0.938   0.235  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.892  -1.855  -0.142  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.770   2.110  -0.155  0.00  0.00    -0.360 N 
ATOM      8  H   LIG    1       -2.272   2.958   0.066  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.609  -1.423  -0.498  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -0.464   2.049  -0.560  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        1.194   0.197  -1.213  0.00  0.00    +0.051 C 
BRANCH  11  13
ATOM     12  C   LIG    1        2.521   0.628   0.927  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1        2.022  -0.411  -0.077  0.00  0.00    +0.099 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.171  -1.176  -0.684  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1        3.211  -2.384  -0.854  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        4.189  -0.400  -1.102  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        4.832  -1.036  -1.480  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 4