REMARK  Name = BDB017563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.800  -2.683   0.737  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.399  -1.475  -0.070  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -3.239  -0.357  -0.301  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -2.662   0.765  -0.933  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -3.372   1.966  -1.031  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -2.933   2.787  -1.423  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.613   2.159  -0.504  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -5.294   0.961   0.046  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -6.727   1.147   0.471  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -7.270  -0.055   1.246  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.851  -1.352   0.570  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -5.398  -1.383   0.435  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -5.084  -2.194  -0.092  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -5.153   3.260  -0.530  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -1.356   0.749  -1.433  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -0.558  -0.385  -1.281  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1       -4.678  -0.239   0.090  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -1.085  -1.482  -0.592  0.00  0.00    +0.009 A 
ENDROOT
BRANCH  16  19
ATOM     19  C   LIG    1        0.854  -0.412  -1.827  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.718   0.627  -1.247  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        1.916   0.418   0.208  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        3.240   0.992   0.765  0.00  0.00    +0.120 C 
ATOM     23  N   LIG    1        4.392   0.359   0.101  0.00  0.00    -0.327 N 
ATOM     24  C   LIG    1        4.188  -0.063  -1.295  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        3.017   0.707  -1.950  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.644   0.312   0.691  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        6.643  -0.564   0.230  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1        7.911  -0.625   0.822  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        8.208   0.197   1.900  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        9.762   0.129   2.632  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        7.248   1.073   2.387  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        5.982   1.124   1.787  0.00  0.00    +0.024 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 3