REMARK  Name = BDB019587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.082   1.687   1.768  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.950   0.584   1.805  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.540  -0.675   1.349  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.763  -0.852   0.872  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.653   0.231   0.821  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1        1.218   1.490   1.268  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -0.644   6.619   1.085  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.791   5.391   1.932  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -1.345   5.544   3.155  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1       -1.487   4.437   3.912  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -1.097   3.171   3.507  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -0.518   3.010   2.244  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1       -0.370   4.154   1.448  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1       -1.511  -1.799   1.409  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1       -1.382  -2.767   0.436  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1       -0.793  -2.579  -0.363  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -2.382  -1.811   2.271  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -2.348  -3.833   0.306  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.388  -3.490  -0.729  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -4.483  -2.678  -0.392  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -5.434  -2.337  -1.357  0.00  0.00    +0.044 A 
ATOM     22 CL   LIG    1       -6.770  -1.343  -0.925  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -5.308  -2.792  -2.665  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1       -4.220  -3.587  -2.998  0.00  0.00    +0.125 A 
ATOM     25  F   LIG    1       -4.087  -4.027  -4.256  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -3.261  -3.937  -2.050  0.00  0.00    +0.043 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1        3.063   0.037   0.312  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  N   LIG    1        3.022  -0.445  -1.054  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1        2.386   0.100  -1.631  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        4.148  -0.690  -1.757  0.00  0.00    +0.176 C 
ATOM     31  N   LIG    1        5.175  -1.309  -1.121  0.00  0.00    -0.316 N 
ATOM     32  H   LIG    1        4.878  -2.058  -0.508  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1        6.123  -1.703  -2.144  0.00  0.00    +0.127 C 
ATOM     34  C   LIG    1        5.672  -0.844  -3.329  0.00  0.00    +0.163 C 
ATOM     35  N   LIG    1        4.287  -0.393  -3.015  0.00  0.00    -0.255 NA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7