REMARK  Name = BDB032130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.125   0.454   2.243  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1       -0.954  -0.407   2.002  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.037   0.096   1.303  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -3.277  -0.588   0.921  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.078   0.356   0.296  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.373   1.614   0.088  0.00  0.00    +0.145 C 
ATOM      7  O   LIG    1       -3.505  -1.764   1.121  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.093   1.402   0.822  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -1.030   2.255   1.042  0.00  0.00    +0.024 A 
ATOM     10 BR   LIG    1       -1.045   4.029   0.400  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        0.081   1.781   1.753  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -5.297   0.040  -0.440  0.00  0.00    +0.163 C 
ATOM     13  C   LIG    1       -4.975  -0.633  -1.784  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -3.948  -0.413  -2.424  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.966  -1.429  -2.311  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -5.766  -1.846  -3.210  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.220  -1.664  -1.805  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.048  -2.309  -2.441  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -7.548  -1.017  -0.480  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -6.296  -0.800   0.355  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     21  C   LIG    1        1.348  -0.044   2.972  0.00  0.00    +0.269 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.214  -0.705   2.043  0.00  0.00    -0.445 OA
BRANCH  22  25
ATOM     23  N   LIG    1        3.932  -0.732   0.665  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        3.552  -1.663   0.564  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        3.232   0.044   1.545  0.00  0.00    +0.405 C 
ATOM     26  O   LIG    1        3.446   1.206   1.856  0.00  0.00    -0.226 OA
BRANCH  23  32
ATOM     27  C   LIG    1        8.546   0.461  -2.524  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        7.338   0.144  -1.690  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1        6.715  -1.110  -1.728  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1        7.303  -2.380  -2.743  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        5.589  -1.375  -0.939  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        5.063  -0.391  -0.096  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        5.679   0.859  -0.054  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        6.804   1.124  -0.843  0.00  0.00    +0.006 A 
ENDBRANCH  23  32
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5