REMARK  Name = BDB040590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.041   2.458  -2.435  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1        2.332   1.697  -1.351  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        3.005   0.874  -0.435  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        2.199   0.239   0.526  0.00  0.00    +0.048 A 
ATOM      5 CL   LIG    1        2.845  -0.765   1.781  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        0.815   0.404   0.532  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        0.234   1.213  -0.428  0.00  0.00    +0.060 A 
ATOM      8  N   LIG    1        0.986   1.877  -1.335  0.00  0.00    -0.255 NA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1        4.520   0.725  -0.485  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1        4.997  -0.726  -0.518  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        4.423  -1.610  -1.151  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.178  -0.997   0.132  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        6.489  -1.958   0.088  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        7.102  -0.096   0.596  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        8.218  -0.460   0.956  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.708   1.360   0.544  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.199   1.525   0.633  0.00  0.00    +0.027 C 
ENDBRANCH   3   9
BRANCH   7  18
ATOM     18  C   LIG    1       -1.257   1.472  -0.462  0.00  0.00    +0.159 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.072   0.390   0.058  0.00  0.00    -0.309 N 
ATOM     20  H   LIG    1       -2.652   0.586   0.864  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -2.423  -0.688  -0.735  0.00  0.00    +0.223 C 
ATOM     22  O   LIG    1       -2.001  -0.826  -1.880  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.357  -1.718  -0.047  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -2.531  -2.371   1.084  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -3.727  -2.831  -1.051  0.00  0.00    +0.025 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.656  -1.042   0.430  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -5.160  -1.194   1.732  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.340  -0.556   2.126  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.043   0.240   1.226  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.571   0.395  -0.073  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.392  -0.241  -0.468  0.00  0.00    +0.004 A 
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   7  18
TORSDOF 5