REMARK  Name = BDB030916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.266  -0.712  -0.865  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1       -0.587   0.031  -1.990  0.00  0.00    -0.001 A 
ATOM      3  C   LIG    1       -1.945   0.232  -2.143  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1       -2.887  -0.236  -1.302  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1       -2.465  -0.957  -0.259  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.182  -1.210  -0.005  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.537   0.918   1.029  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        4.468  -0.455   0.711  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.961  -1.611   0.936  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        3.262  -0.976   0.214  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        2.130  -0.182   0.023  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        1.103  -1.028  -0.499  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.622  -2.304  -0.582  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.207   1.184   0.355  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.921  -2.259  -0.157  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        3.547  -3.052  -0.103  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.407   1.717   0.850  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        6.073   2.704   1.886  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.755   1.428   1.524  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        6.518   0.771   1.631  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        5.363   3.697   1.855  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        7.841   3.991   2.723  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.367   2.709   2.307  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1        0.412   0.557  -2.995  0.00  0.00    +0.016 C 
ATOM     25  C   LIG    1        0.214  -0.096  -4.367  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        0.350   2.083  -3.111  0.00  0.00    +0.012 C 
ENDBRANCH   2  24
BRANCH   5  27
ATOM     27  N   LIG    1       -3.368  -1.494   0.643  0.00  0.00    -0.309 N 
ATOM     28  H   LIG    1       -2.822  -1.753   1.458  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -4.570  -0.702   0.906  0.00  0.00    +0.087 C 
ATOM     30  C   LIG    1       -4.987  -0.818   2.402  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -5.851  -1.957   2.768  0.00  0.00    -0.314 NA
ATOM     32  H   LIG    1       -6.821  -1.641   2.780  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -5.739  -3.050   1.804  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -6.169  -2.620   0.400  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -5.722  -1.200   0.028  0.00  0.00    +0.025 C 
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 6