REMARK  Name = BDB040496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.096  -0.331   0.009  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        2.542  -1.221  -0.938  0.00  0.00    +0.047 A 
ATOM      3 CL   LIG    1        3.364  -1.682  -2.392  0.00  0.00    -0.083 Cl
ATOM      4  C   LIG    1        1.281  -1.805  -0.744  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.536  -1.536   0.405  0.00  0.00    -0.028 A 
ATOM      6  C   LIG    1        1.078  -0.674   1.362  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        2.335  -0.086   1.172  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        2.896   0.934   2.455  0.00  0.00    -0.083 Cl
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1        8.099   0.945  -2.059  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        7.026   0.710  -1.512  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1        5.841   1.098  -2.084  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        5.920   1.597  -2.959  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        4.586   1.071  -1.524  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        3.656   1.676  -2.055  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.454   0.339  -0.190  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1        5.608  -0.644   0.040  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        6.938   0.068  -0.150  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1       -0.838  -2.122   0.596  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.847  -1.150   0.246  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.986  -0.939  -0.732  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -2.498  -0.387   1.198  0.00  0.00    +0.224 C 
ATOM     22  O   LIG    1       -2.319  -0.577   2.403  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.454   0.735   0.582  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1       -2.750   1.788  -0.355  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1       -2.501   2.651   0.893  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -3.721   1.967   1.531  0.00  0.00    +0.021 C 
BRANCH  23  27
ATOM     27  C   LIG    1       -4.767  -0.011   0.033  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -5.728  -0.541   0.913  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -6.850  -1.190   0.417  0.00  0.00    +0.111 A 
ATOM     30  N   LIG    1       -7.098  -1.355  -0.896  0.00  0.00    -0.263 NA
ATOM     31  C   LIG    1       -6.184  -0.849  -1.745  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1       -5.032  -0.189  -1.336  0.00  0.00    +0.024 A 
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5