REMARK  Name = BDB059075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.672   2.347   0.483  0.00  0.00    +0.044 A 
ATOM      2  N   LIG    1       -1.905   1.035   0.292  0.00  0.00    -0.232 NA
ATOM      3  C   LIG    1       -0.815   0.260   0.088  0.00  0.00    +0.165 A 
ATOM      4  C   LIG    1        0.513   0.693   0.083  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        1.271  -0.482  -0.190  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1        0.482  -1.559  -0.292  0.00  0.00    -0.168 NA
ATOM      7  C   LIG    1        0.699   2.064   0.332  0.00  0.00    +0.073 A 
ATOM      8  N   LIG    1       -0.792  -1.111  -0.149  0.00  0.00    -0.214 N 
ATOM      9  C   LIG    1       -0.404   2.900   0.523  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -1.875  -2.042  -0.244  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1       -1.589  -3.400  -0.483  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -2.620  -4.340  -0.582  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -3.943  -3.932  -0.443  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1       -5.213  -5.085  -0.563  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -4.242  -2.592  -0.207  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -3.213  -1.648  -0.108  0.00  0.00    +0.029 A 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     17  C   LIG    1       -3.235   3.332   2.173  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -2.884   3.220   0.698  0.00  0.00    +0.052 C 
ENDBRANCH   1  18
BRANCH   7  19
ATOM     19  C   LIG    1        2.017   2.682   0.437  0.00  0.00    +0.338 C 
ATOM     20  O   LIG    1        2.646   3.104  -0.513  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        2.400   2.789   1.727  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        1.793   2.379   2.373  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH   7  19
BRANCH   5  23
ATOM     23  C   LIG    1        2.752  -0.723  -0.396  0.00  0.00    +0.040 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.635  -0.349   0.808  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        3.205  -1.008   2.112  0.00  0.00    +0.004 C 
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1        3.286  -0.082  -1.693  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        2.636  -0.640  -2.954  0.00  0.00    +0.004 C 
ENDBRANCH  23  26
ENDBRANCH   5  23
TORSDOF 7