REMARK  Name = BDB003872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.980  -0.218  -1.705  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.255  -0.223  -0.711  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.473   0.865  -0.438  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.707   1.490  -1.207  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.121   0.689  -0.543  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.551   1.068  -1.564  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.377   0.198   0.705  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -0.037  -0.458   0.295  0.00  0.00    +0.122 C 
ATOM      9  N   LIG    1        0.991   0.578   0.477  0.00  0.00    -0.313 N 
ATOM     10  C   LIG    1        0.396   1.838   0.881  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1       -0.925   1.419   1.523  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.220  -0.739   1.587  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -2.936  -1.829   0.797  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -4.289  -1.357   0.287  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   9  15
ATOM     15  C   LIG    1        2.214   0.379  -0.120  0.00  0.00    +0.140 A 
ATOM     16  C   LIG    1        3.207   1.355  -0.357  0.00  0.00    +0.083 A 
ATOM     17 CL   LIG    1        3.068   3.037   0.025  0.00  0.00    -0.080 Cl
ATOM     18  C   LIG    1        4.422   0.991  -0.959  0.00  0.00    +0.057 A 
ATOM     19  C   LIG    1        4.637  -0.335  -1.312  0.00  0.00    +0.146 A 
ATOM     20  C   LIG    1        3.643  -1.253  -1.056  0.00  0.00    +0.145 A 
ATOM     21  N   LIG    1        2.467  -0.916  -0.474  0.00  0.00    -0.237 NA
BRANCH  19  22
ATOM     22  N   LIG    1        5.879  -0.759  -1.936  0.00  0.00    +0.058 N 
ATOM     23  O   LIG    1        6.000  -1.958  -2.222  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        6.742   0.105  -2.142  0.00  0.00    -0.126 OA
ENDBRANCH  19  22
ENDBRANCH   9  15
TORSDOF 2