REMARK  Name = BDB012521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.505   0.083   0.998  0.00  0.00    +0.053 A 
ATOM      2  N   LIG    1        1.602   0.299  -0.044  0.00  0.00    -0.344 N 
ATOM      3  C   LIG    1        1.913   0.362  -1.455  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1        0.375   0.477   0.506  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -1.001   0.713   0.018  0.00  0.00    +0.159 C 
ATOM      6  N   LIG    1       -1.726   0.820   1.335  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -0.837   0.632   2.438  0.00  0.00    +0.254 C 
ATOM      8  O   LIG    1       -1.052   0.657   3.638  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.463   0.423   1.861  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1        1.796   0.187   2.198  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -3.086   1.137   1.429  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -3.816   1.527   0.365  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -5.164   1.848   0.444  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -5.851   2.261  -0.771  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.878   1.800   1.644  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1       -7.067   2.097   1.739  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -5.085   1.352   2.829  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -5.890   1.223   4.347  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -3.786   1.047   2.703  0.00  0.00    +0.050 A 
ENDBRANCH   6  11
BRANCH   5  20
ATOM     20  C   LIG    1       -1.497  -0.415  -0.873  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.675  -0.189  -2.250  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -2.116  -1.215  -3.089  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.380  -2.477  -2.562  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.921  -3.739  -3.599  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -2.204  -2.723  -1.204  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.762  -1.698  -0.363  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  30
ATOM     27  C   LIG    1        6.577  -0.660   0.485  0.00  0.00    +0.318 A 
ATOM     28  N   LIG    1        6.231   0.419   1.201  0.00  0.00    -0.203 NA
ATOM     29  C   LIG    1        4.906   0.629   1.356  0.00  0.00    +0.127 A 
ATOM     30  C   LIG    1        3.928  -0.182   0.816  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1        4.408  -1.267   0.110  0.00  0.00    +0.127 A 
ATOM     32  N   LIG    1        5.719  -1.527  -0.081  0.00  0.00    -0.203 NA
BRANCH  27  34
ATOM     33  C   LIG    1        8.267  -2.033  -0.357  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1        7.935  -0.841   0.340  0.00  0.00    -0.466 OA
ENDBRANCH  27  34
ENDBRANCH   1  30
TORSDOF 4