REMARK  Name = BDB018551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.633   0.112   4.794  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        3.357  -0.088   4.123  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        2.349  -0.756   4.798  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        2.426  -1.154   5.952  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.098  -0.979   4.031  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.970  -0.557   2.760  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1        2.087   0.125   2.096  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        3.215   0.325   2.809  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -0.350  -0.788   2.143  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.681  -2.016   1.571  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1       -1.851  -2.272   0.945  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1       -2.737  -1.254   0.897  0.00  0.00    +0.215 A 
ATOM     13  C   LIG    1       -2.524  -0.008   1.467  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -1.303   0.231   2.089  0.00  0.00    +0.015 A 
BRANCH  12  15
ATOM     15  O   LIG    1       -3.950  -1.466   0.287  0.00  0.00    -0.473 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.800  -2.109  -0.973  0.00  0.00    +0.175 C 
ATOM     17  C   LIG    1       -4.943  -1.671  -1.888  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -5.001  -2.743  -2.964  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -4.377  -3.992  -2.334  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -4.019  -3.617  -0.902  0.00  0.00    +0.044 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  21
ATOM     21  C   LIG    1        1.998   0.565   0.729  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        2.298   1.816   0.252  0.00  0.00    +0.123 A 
ATOM     23  N   LIG    1        2.067   1.806  -1.117  0.00  0.00    -0.238 N 
ATOM     24  N   LIG    1        1.651   0.591  -1.520  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1        1.604  -0.148  -0.414  0.00  0.00    +0.143 A 
BRANCH  23  26
ATOM     26  C   LIG    1        2.246   2.875  -2.052  0.00  0.00    +0.084 A 
ATOM     27  C   LIG    1        1.780   2.803  -3.387  0.00  0.00    +0.095 A 
ATOM     28  C   LIG    1        2.004   3.900  -4.238  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1        1.446   3.940  -5.880  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        2.673   5.038  -3.789  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        3.128   5.106  -2.481  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        2.913   4.038  -1.617  0.00  0.00    +0.029 A 
BRANCH  27  33
ATOM     33  C   LIG    1        1.037   1.692  -3.920  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1        0.416   0.844  -4.413  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  23  26
ENDBRANCH   7  21
TORSDOF 6