REMARK  Name = BDB028744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.583   0.639  -0.887  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -0.234   0.895   0.542  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        0.518  -0.288   1.211  0.00  0.00    +0.135 C 
ATOM      4  N   LIG    1        1.629  -0.797   0.394  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        2.692  -1.398   1.053  0.00  0.00    +0.220 C 
ATOM      6  O   LIG    1        2.838  -1.370   2.269  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        1.300  -1.043  -1.014  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1        0.573   0.147  -1.669  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -2.642   0.187  -2.088  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -1.710  -0.197  -1.086  0.00  0.00    +0.143 A 
ATOM     11  N   LIG    1       -1.845  -1.338  -0.376  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1       -2.947  -2.090  -0.614  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1       -3.925  -1.766  -1.540  0.00  0.00    +0.061 A 
ATOM     14 CL   LIG    1       -5.296  -2.775  -1.762  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1       -3.775  -0.603  -2.282  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     16  N   LIG    1       -2.542   1.439  -2.732  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1       -1.605   1.822  -2.611  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -2.885   1.456  -3.684  0.00  0.00    +0.142 HD
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1       -1.410   1.494   1.313  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -2.035   0.838   2.385  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -3.114   1.428   3.054  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -3.581   2.677   2.655  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -4.910   3.396   3.477  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -2.982   3.343   1.591  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.904   2.754   0.925  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   5  26
ATOM     26  C   LIG    1        3.699  -2.110   0.219  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1        4.837  -1.353  -0.440  0.00  0.00    +0.110 C 
ATOM     28  C   LIG    1        5.116  -2.275   0.719  0.00  0.00    +0.029 C 
BRANCH  27  29
ATOM     29  C   LIG    1        4.980   0.103  -0.271  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1        5.849   0.643   0.389  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        4.075   0.810  -0.975  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1        4.305   1.737  -0.750  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH   5  26
TORSDOF 6