REMARK  Name = BDB019593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.947   2.126   0.443  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.046   1.466   1.184  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.630   0.276   0.727  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.199  -0.283  -0.482  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -0.796   0.348  -1.243  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -1.349   1.552  -0.776  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -0.513   6.779   2.255  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -1.357   5.625   1.802  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -2.699   5.784   1.845  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1       -3.456   4.746   1.436  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -2.938   3.547   0.975  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.550   3.381   0.926  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1       -0.754   4.452   1.354  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1        1.676  -0.365   1.574  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        2.534  -1.234   0.950  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        2.571  -1.327  -0.059  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        1.762  -0.091   2.767  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.632  -1.851   1.660  0.00  0.00    +0.160 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.421  -2.783   0.764  0.00  0.00    +0.060 A 
ATOM     20  N   LIG    1        4.171  -2.742  -0.576  0.00  0.00    -0.258 NA
ATOM     21  C   LIG    1        4.886  -3.568  -1.371  0.00  0.00    +0.112 A 
ATOM     22  C   LIG    1        5.851  -4.438  -0.903  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        6.092  -4.454   0.463  0.00  0.00    +0.044 A 
ATOM     24 CL   LIG    1        7.289  -5.511   1.104  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        5.379  -3.623   1.317  0.00  0.00    +0.045 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  26
ATOM     26  C   LIG    1       -1.260  -0.243  -2.555  0.00  0.00    +0.139 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -1.626  -1.638  -2.412  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1       -1.316  -2.206  -3.194  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -2.849  -2.053  -2.019  0.00  0.00    +0.176 C 
ATOM     30  N   LIG    1       -3.501  -1.343  -1.063  0.00  0.00    -0.316 N 
ATOM     31  H   LIG    1       -2.890  -1.018  -0.323  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -4.611  -2.160  -0.620  0.00  0.00    +0.127 C 
ATOM     33  C   LIG    1       -4.723  -3.170  -1.766  0.00  0.00    +0.163 C 
ATOM     34  N   LIG    1       -3.422  -3.122  -2.492  0.00  0.00    -0.255 NA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7