REMARK  Name = BDB034827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.017   0.863  -0.046  0.00  0.00    +0.143 A 
ATOM      2  N   LIG    1       -0.166   2.103   0.484  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.393   2.447   0.167  0.00  0.00    +0.201 A 
ATOM      4  N   LIG    1       -2.010   1.467  -0.554  0.00  0.00    -0.331 N 
ATOM      5  C   LIG    1       -1.111   0.447  -0.716  0.00  0.00    +0.131 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        2.298   0.527   0.753  0.00  0.00    +0.223 C 
ATOM      7  N   LIG    1        1.171   0.126   0.060  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        1.153  -0.781  -0.381  0.00  0.00    +0.156 HD
ATOM      9  O   LIG    1        2.442   1.556   1.403  0.00  0.00    -0.275 OA
BRANCH   6  12
ATOM     10  N   LIG    1        5.758  -0.868   0.763  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1        4.676  -0.050   1.384  0.00  0.00    +0.129 C 
ATOM     12  C   LIG    1        3.407  -0.507   0.671  0.00  0.00    +0.095 C 
ATOM     13  C   LIG    1        3.910  -0.749  -0.746  0.00  0.00    +0.034 C 
ATOM     14  C   LIG    1        5.270  -1.400  -0.533  0.00  0.00    +0.117 C 
BRANCH  10  16
ATOM     15  N   LIG    1        8.164  -0.769   1.421  0.00  0.00    -0.174 NA
ATOM     16  C   LIG    1        7.047  -0.811   1.122  0.00  0.00    +0.169 C 
ENDBRANCH  10  16
ENDBRANCH   6  12
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -3.357   1.534  -1.094  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.271   0.516  -0.459  0.00  0.00    -0.028 A 
ATOM     19  C   LIG    1       -4.609   0.604   0.901  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -5.458  -0.339   1.482  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.982  -1.375   0.713  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.658  -1.472  -0.638  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.808  -0.531  -1.223  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 5