REMARK  Name = BDB040529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.183   1.780   1.268  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.197   1.313   0.889  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.824   0.295   1.612  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.098  -0.165   1.253  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.738  -1.456   2.214  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.796   0.381   0.154  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.131   1.381  -0.589  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.800   2.095  -2.019  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.857   1.840  -0.222  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.192  -0.122  -0.208  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.223   0.992  -0.376  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -6.238   2.006   0.320  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.212   0.775  -1.306  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.896   1.514  -1.398  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.504  -0.391  -1.965  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.524  -0.500  -2.640  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.559  -1.546  -1.741  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.156  -1.055  -1.423  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.760  -0.126   1.264  0.00  0.00    +0.224 C 
ATOM     20  N   LIG    1        1.185   0.960   0.628  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.386   1.125  -0.347  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.501  -0.388   2.441  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.740  -0.979   0.340  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1        2.130  -1.528  -1.005  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1        1.705  -2.787  -0.230  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1        2.871  -2.502   0.732  0.00  0.00    +0.021 C 
BRANCH  23  32
ATOM     27  C   LIG    1        7.721   1.851  -0.127  0.00  0.00    +0.152 C 
ATOM     28  N   LIG    1        6.464   1.134   0.020  0.00  0.00    -0.318 N 
ATOM     29  C   LIG    1        6.237   0.396   1.179  0.00  0.00    +0.251 A 
ATOM     30  O   LIG    1        7.023   0.297   2.117  0.00  0.00    -0.268 OA
ATOM     31  C   LIG    1        4.931  -0.316   1.249  0.00  0.00    +0.075 A 
ATOM     32  C   LIG    1        4.061  -0.263   0.225  0.00  0.00    -0.026 A 
ATOM     33  C   LIG    1        4.385   0.523  -0.946  0.00  0.00    +0.022 A 
ATOM     34  C   LIG    1        5.549   1.180  -1.016  0.00  0.00    +0.089 A 
ENDBRANCH  23  32
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 5