REMARK  Name = BDB032791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.588  -2.140   0.059  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -0.523  -1.791  -0.723  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.539  -1.080  -0.114  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.799  -0.596  -0.688  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -3.447   0.118   0.309  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.749   0.031   1.587  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.171  -0.799  -1.828  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.500  -0.702   1.227  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -0.410  -1.029   2.010  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.638  -1.746   1.417  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.838   0.534   0.179  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.810  -0.481   0.805  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.497  -1.611   1.173  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.107  -0.040   0.948  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.735  -0.707   1.375  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.498   1.269   1.064  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.581   1.565   1.560  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.540   2.311   0.535  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.096   1.908   0.789  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.740  -2.894  -0.555  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.571  -1.982  -1.285  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        4.296  -0.625  -1.443  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        3.848  -0.530  -2.345  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.644  -1.493  -0.613  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        3.942  -1.797   0.531  0.00  0.00    -0.226 OA
BRANCH  22  28
ATOM     26  C   LIG    1        7.068   1.742  -2.039  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        5.918   0.960  -2.215  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        5.456   0.126  -1.188  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        6.159   0.085   0.018  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1        7.305   0.866   0.189  0.00  0.00    +0.044 A 
ATOM     31 CL   LIG    1        8.163   0.808   1.681  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1        7.764   1.694  -0.831  0.00  0.00    +0.039 A 
BRANCH  26  34
ATOM     33  N   LIG    1        7.891   3.273  -3.964  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1        7.526   2.589  -3.100  0.00  0.00    +0.099 C 
ENDBRANCH  26  34
ENDBRANCH  22  28
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6