REMARK  Name = BDB059460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.254  -0.338  -0.520  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -1.048   0.043   0.489  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1       -0.556   0.938   1.383  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1        0.712   1.492   1.321  0.00  0.00    +0.067 A 
ATOM      5 CL   LIG    1        1.189   2.596   2.554  0.00  0.00    -0.081 Cl
ATOM      6  C   LIG    1        1.536   1.095   0.269  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        1.037   0.167  -0.659  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        2.881   1.604   0.089  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        4.009   0.835  -0.043  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        4.496  -0.557  -0.063  0.00  0.00    +0.064 C 
ATOM     11  C   LIG    1        6.051  -0.379   0.112  0.00  0.00    -0.010 C 
ATOM     12  C   LIG    1        6.347   1.093  -0.309  0.00  0.00    +0.150 C 
ATOM     13  C   LIG    1        6.822  -1.367  -0.765  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1        6.440  -0.592   1.586  0.00  0.00    +0.013 C 
ATOM     15  N   LIG    1        5.037   1.703  -0.187  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        4.715   2.989  -0.174  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        3.383   2.938   0.002  0.00  0.00    +0.143 A 
ENDBRANCH   6   8
BRANCH   1  19
ATOM     18  C   LIG    1       -1.818  -1.955  -1.676  0.00  0.00    +0.221 C 
ATOM     19  N   LIG    1       -0.672  -1.261  -1.478  0.00  0.00    -0.270 N 
ATOM     20  H   LIG    1        0.000  -1.499  -2.195  0.00  0.00    +0.156 HD
ATOM     21  O   LIG    1       -1.808  -2.730  -2.644  0.00  0.00    -0.275 OA
BRANCH  18  24
ATOM     22  C   LIG    1       -5.017  -0.433  -0.017  0.00  0.00    +0.074 C 
ATOM     23  C   LIG    1       -3.762  -0.498  -0.896  0.00  0.00    +0.035 C 
ATOM     24  C   LIG    1       -3.079  -1.867  -0.824  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1       -2.897  -2.442   0.584  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -4.168  -2.326   1.418  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -4.721  -0.905   1.409  0.00  0.00    +0.022 C 
BRANCH  22  30
ATOM     28  C   LIG    1       -6.710   2.850  -0.885  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -6.354   1.394  -1.014  0.00  0.00    +0.210 C 
ATOM     30  N   LIG    1       -5.560   0.919   0.006  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -5.110   1.594   0.609  0.00  0.00    +0.149 HD
ATOM     32  O   LIG    1       -6.738   0.712  -1.959  0.00  0.00    -0.276 OA
ENDBRANCH  22  30
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 4