REMARK  Name = BDB017556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.177   0.740   2.428  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.530   0.731   1.068  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -3.157   0.264  -0.113  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -2.478   0.478  -1.332  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -3.111   0.209  -2.550  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -2.653   0.423  -3.425  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.398  -0.223  -2.658  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -5.088  -0.580  -1.395  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -6.448  -1.211  -1.534  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -7.186  -1.318  -0.198  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.240  -1.806   0.890  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -5.081  -0.923   0.958  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.384  -1.260   1.617  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -4.935  -0.353  -3.754  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -1.184   1.009  -1.384  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -0.527   1.374  -0.210  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1       -4.490  -0.410  -0.196  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -1.217   1.250   1.001  0.00  0.00    +0.009 A 
ENDROOT
BRANCH  16  19
ATOM     19  C   LIG    1        0.869   1.959  -0.253  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.800   1.319   0.689  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        2.139  -0.070   0.313  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        3.386  -0.248  -0.585  0.00  0.00    +0.122 C 
ATOM     23  N   LIG    1        4.567   0.440  -0.036  0.00  0.00    -0.313 N 
ATOM     24  C   LIG    1        4.314   1.340   1.101  0.00  0.00    +0.122 C 
ATOM     25  C   LIG    1        3.022   2.146   0.838  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.785  -0.231  -0.023  0.00  0.00    +0.121 A 
ATOM     27  N   LIG    1        6.603  -0.080   1.043  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1        7.798  -0.723   1.042  0.00  0.00    +0.132 A 
ATOM     29  C   LIG    1        8.244  -1.520   0.006  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1        9.769  -2.299   0.075  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        7.421  -1.665  -1.098  0.00  0.00    +0.025 A 
ATOM     32  C   LIG    1        6.186  -1.011  -1.112  0.00  0.00    +0.045 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 3