REMARK  Name = BDB036975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.562   1.809  -1.495  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.412   0.909  -0.770  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1       -0.028  -0.029   0.145  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1        0.900  -0.805   0.852  0.00  0.00    +0.262 A 
ATOM      5  O   LIG    1        0.598  -1.643   1.700  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        2.322  -0.614   0.530  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        2.638   0.322  -0.445  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1        3.978   0.520  -0.787  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        4.979  -0.215  -0.153  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        4.658  -1.154   0.827  0.00  0.00    +0.016 A 
ATOM     11 BR   LIG    1        6.788   0.063  -0.626  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        3.322  -1.356   1.172  0.00  0.00    +0.016 A 
ATOM     13  N   LIG    1        1.657   1.079  -1.085  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   3  14
ATOM     14  C   LIG    1       -1.444  -0.278   0.490  0.00  0.00    +0.178 C 
ATOM     15  C   LIG    1       -2.071   0.875   1.277  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1       -1.426   1.770   1.817  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1       -3.445   0.845   1.371  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -3.865   1.610   1.883  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -4.317   0.063   0.653  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -5.526   0.267   0.692  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -3.713  -1.072  -0.143  0.00  0.00    +0.099 C 
ATOM     22  C   LIG    1       -2.334  -0.704  -0.678  0.00  0.00    +0.044 C 
ENDBRANCH   3  14
TORSDOF 1