REMARK  Name = BDB031066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.991  -0.639  -1.439  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -0.224  -0.060  -1.311  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -1.264  -0.847  -0.983  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -1.127  -2.217  -0.792  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.127  -2.801  -0.938  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.211  -1.999  -1.270  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        4.889   0.275   0.583  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1        3.680  -0.076   0.101  0.00  0.00    +0.139 A 
ATOM      9  N   LIG    1        3.228   0.484  -1.100  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        3.963   1.425  -1.821  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        3.309   1.849  -2.879  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        2.119   1.171  -2.857  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        5.244   1.781  -1.317  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        2.051   0.282  -1.800  0.00  0.00    +0.092 A 
ATOM     15  C   LIG    1        5.688   1.231  -0.171  0.00  0.00    +0.051 A 
BRANCH   7  17
ATOM     16  C   LIG    1        4.777  -1.072   2.547  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        5.498  -0.156   1.732  0.00  0.00    -0.494 OA
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  18
ATOM     18  N   LIG    1       -2.492  -0.201  -0.864  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1       -2.297   0.771  -1.102  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.103  -0.293   0.462  0.00  0.00    +0.093 C 
ATOM     21  C   LIG    1       -4.432   0.440   0.505  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -5.698  -0.309   0.127  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1       -5.222   0.817  -0.739  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -4.441   1.357   1.704  0.00  0.00    +0.089 C 
ATOM     25  N   LIG    1       -3.314   0.881   2.514  0.00  0.00    -0.314 NA
ATOM     26  H   LIG    1       -2.956   1.638   3.094  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -2.298   0.453   1.544  0.00  0.00    +0.103 C 
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 4