REMARK  Name = BDB035000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.862  -1.378  -1.092  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        4.757  -0.118  -1.709  0.00  0.00    +0.059 A 
ATOM      3 BR   LIG    1        5.982   0.433  -3.053  0.00  0.00    -0.047 Br
ATOM      4  C   LIG    1        3.740   0.767  -1.348  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.875   0.308  -0.358  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1        3.035  -0.949   0.214  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1        2.012  -1.117   1.175  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        1.241   0.031   1.175  0.00  0.00    +0.036 A 
ATOM      9  N   LIG    1        1.782   0.887   0.240  0.00  0.00    -0.355 N 
ATOM     10  H   LIG    1        1.415   1.804   0.020  0.00  0.00    +0.166 HD
ATOM     11  N   LIG    1        4.019  -1.807  -0.138  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        5.890  -2.274  -1.454  0.00  0.00    -0.342 N 
ATOM     13  H   LIG    1        5.826  -2.456  -2.451  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1        6.785  -1.822  -1.290  0.00  0.00    +0.144 HD
ENDBRANCH   1  12
BRANCH   8  15
ATOM     15  C   LIG    1        0.041   0.403   1.962  0.00  0.00    +0.157 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.105   0.136   1.132  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1       -1.115  -0.753   0.652  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -2.311   0.751   1.393  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -2.447   1.630   2.237  0.00  0.00    -0.270 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -3.482   0.272   0.607  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -4.762   0.443   1.150  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -5.888   0.009   0.448  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.741  -0.589  -0.803  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.471  -0.748  -1.357  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.341  -0.315  -0.658  0.00  0.00    +0.013 A 
ENDBRANCH  18  20
ENDBRANCH  15  16
ENDBRANCH   8  15
TORSDOF 4