REMARK  Name = BDB031333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.189  -2.274  -0.424  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -0.393  -1.192  -0.351  0.00  0.00    +0.311 C 
ATOM      3  N   LIG    1       -1.772  -1.135  -0.254  0.00  0.00    -0.255 N 
ATOM      4  C   LIG    1       -2.627  -0.126   0.229  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -3.958  -0.533   0.076  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -5.016   0.274   0.466  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -4.724   1.506   1.050  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -3.391   1.898   1.239  0.00  0.00    +0.043 A 
ATOM      9 CL   LIG    1       -3.055   3.412   1.990  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -4.038  -1.883  -0.568  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1       -2.329   1.082   0.838  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1       -2.579  -2.340  -0.492  0.00  0.00    +0.120 C 
ATOM     13  N   LIG    1        0.230   0.031  -0.437  0.00  0.00    -0.269 N 
ATOM     14  H   LIG    1       -0.364   0.770  -0.784  0.00  0.00    +0.156 HD
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        1.614   0.296  -0.409  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        2.567  -0.653  -0.017  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1        3.884  -0.255  -0.019  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1        4.276   1.031  -0.382  0.00  0.00    +0.067 A 
ATOM     19  N   LIG    1        5.660   1.105  -0.275  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1        6.249   1.898  -0.467  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        6.145  -0.138   0.158  0.00  0.00    +0.325 A 
ATOM     22  O   LIG    1        7.310  -0.432   0.358  0.00  0.00    -0.247 OA
ATOM     23  C   LIG    1        3.370   1.989  -0.762  0.00  0.00    +0.029 A 
ATOM     24  N   LIG    1        5.029  -0.972   0.314  0.00  0.00    -0.306 N 
ATOM     25  H   LIG    1        5.078  -1.932   0.613  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        2.022   1.607  -0.770  0.00  0.00    +0.025 A 
ENDBRANCH  13  15
TORSDOF 1