REMARK  Name = BDB014292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.406  -1.409  -0.888  0.00  0.00    +0.023 A 
ATOM      2  N   LIG    1        1.127  -0.662   0.017  0.00  0.00    -0.356 N 
ATOM      3  H   LIG    1        0.858  -0.469   0.976  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        2.269  -0.167  -0.566  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        2.280  -0.620  -1.880  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        3.266  -0.326  -2.759  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        4.254   0.453  -2.269  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        4.322   0.950  -0.978  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        3.301   0.639  -0.079  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        1.115  -1.398  -2.076  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.357   1.161   1.298  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1        4.237   1.870   1.749  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        2.311   0.779   2.056  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        2.492   1.211   2.919  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1       -0.885  -2.075  -0.533  0.00  0.00    +0.088 C 
BRANCH  15  22
ATOM     16  C   LIG    1       -3.894   1.963  -0.293  0.00  0.00    +0.045 C 
ATOM     17  C   LIG    1       -3.277   0.774   0.388  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1       -3.529   0.477   1.735  0.00  0.00    +0.044 A 
ATOM     19 CL   LIG    1       -4.568   1.464   2.700  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -2.938  -0.634   2.341  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.087  -1.464   1.610  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -1.820  -1.190   0.263  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1       -2.420  -0.070  -0.337  0.00  0.00    +0.008 A 
ENDBRANCH  15  22
ENDBRANCH   1  15
TORSDOF 4