REMARK  Name = BDB040584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.341   1.808   0.637  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.734   1.246   0.743  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        2.298   0.939   1.978  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.585   0.388   2.060  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        4.173   0.103   3.669  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        4.356   0.102   0.906  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.771   0.434  -0.334  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        4.559   0.230  -1.858  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.483   0.989  -0.408  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.748  -0.511   1.073  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.157  -1.548   0.038  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        5.523  -2.586  -0.142  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.279  -1.278  -0.709  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        7.525  -1.982  -1.392  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.913  -0.072  -0.861  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        8.774   0.087  -1.723  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        7.445   1.056   0.025  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        6.851   0.528   1.317  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.097   0.626  -0.999  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1       -0.592   0.770   0.276  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.951   0.157   1.004  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -0.778   1.396  -1.905  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.010  -0.597  -1.220  0.00  0.00    +0.101 C 
ATOM     24  C   LIG    1       -2.538  -0.575  -2.670  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1       -1.176  -1.881  -1.045  0.00  0.00    +0.029 C 
BRANCH  23  31
ATOM     26  C   LIG    1       -5.425  -0.371   0.244  0.00  0.00    +0.073 A 
ATOM     27  C   LIG    1       -5.197  -0.554   1.602  0.00  0.00    -0.009 A 
ATOM     28  C   LIG    1       -6.281  -0.565   2.630  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -3.879  -0.762   1.959  0.00  0.00    +0.118 A 
ATOM     30  N   LIG    1       -2.849  -0.774   1.090  0.00  0.00    -0.239 NA
ATOM     31  C   LIG    1       -3.155  -0.580  -0.211  0.00  0.00    +0.144 A 
ATOM     32  N   LIG    1       -4.408  -0.369  -0.651  0.00  0.00    -0.233 NA
BRANCH  26  33
ATOM     33  C   LIG    1       -6.832  -0.130  -0.282  0.00  0.00    +0.215 C 
BRANCH  33  35
ATOM     34  C   LIG    1       -6.686   0.949  -2.393  0.00  0.00    +0.194 C 
ATOM     35  O   LIG    1       -6.971  -0.260  -1.700  0.00  0.00    -0.377 OA
ENDBRANCH  33  35
ENDBRANCH  26  33
ENDBRANCH  23  31
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 7