REMARK  Name = BDB001080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.667   0.613   0.845  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        0.396   0.678  -0.065  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.200  -0.446  -0.282  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.942  -1.650   0.381  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.103  -1.714   1.300  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.894  -0.587   1.539  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.295  -0.355  -1.268  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1        3.611  -0.438  -0.823  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        4.662  -0.609  -1.829  0.00  0.00    +0.123 C 
ATOM     10  C   LIG    1        6.005   0.002  -1.397  0.00  0.00    +0.100 C 
ATOM     11  N   LIG    1        6.435  -0.437  -0.056  0.00  0.00    -0.313 NA
ATOM     12  H   LIG    1        6.542  -1.451  -0.070  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1        5.381  -0.090   0.914  0.00  0.00    +0.100 C 
ATOM     14  C   LIG    1        4.008  -0.696   0.567  0.00  0.00    +0.123 C 
ATOM     15  O   LIG    1        1.980  -0.190  -2.445  0.00  0.00    -0.270 OA
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  C   LIG    1       -1.530   1.830   1.096  0.00  0.00    +0.264 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -2.918   1.531   1.261  0.00  0.00    -0.487 OA
BRANCH  17  19
ATOM     18  C   LIG    1       -4.788   0.316   0.467  0.00  0.00    +0.078 A 
ATOM     19  C   LIG    1       -3.622   1.049   0.190  0.00  0.00    +0.133 A 
ATOM     20  C   LIG    1       -3.283   1.293  -1.145  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -4.082   0.803  -2.183  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.233   0.071  -1.902  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.588  -0.174  -0.578  0.00  0.00    +0.017 A 
BRANCH  18  27
ATOM     24  N   LIG    1       -6.492   0.240   2.180  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -6.734   0.156   3.159  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -7.074   0.824   1.596  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -5.181   0.002   1.864  0.00  0.00    +0.245 C 
ATOM     28  O   LIG    1       -4.401  -0.451   2.690  0.00  0.00    -0.270 OA
ENDBRANCH  18  27
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5