REMARK  Name = BDB061333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.299   1.726   2.058  0.00  0.00    +0.234 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.833   0.320   2.336  0.00  0.00    +0.076 C 
BRANCH   2   6
ATOM      3  C   LIG    1        4.940  -0.086   1.034  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1        3.894  -0.454   0.192  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.565  -0.325   0.616  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.264   0.165   1.891  0.00  0.00    -0.044 A 
ATOM      7  C   LIG    1        3.314   0.528   2.738  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        4.638   0.397   2.311  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1        6.275  -0.154   0.769  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1        6.428   0.787  -1.483  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        6.793  -0.376  -0.546  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1        8.322  -0.356  -0.346  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1        6.486  -1.758  -1.156  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1        6.082  -2.752  -0.573  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1        6.742  -1.835  -2.481  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1        6.536  -2.768  -2.702  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1       -1.057   1.845   2.490  0.00  0.00    -0.490 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.074   1.536   1.628  0.00  0.00    +0.139 A 
ATOM     19  C   LIG    1       -3.381   1.791   2.079  0.00  0.00    +0.085 A 
ATOM     20 CL   LIG    1       -3.675   2.477   3.641  0.00  0.00    -0.080 Cl
ATOM     21  C   LIG    1       -4.488   1.505   1.276  0.00  0.00    +0.053 A 
ATOM     22  C   LIG    1       -4.313   0.944   0.008  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -3.015   0.696  -0.446  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1       -1.903   0.982   0.356  0.00  0.00    +0.049 A 
BRANCH  22  25
ATOM     25  N   LIG    1       -5.402   0.669  -0.837  0.00  0.00    -0.149 NA
ATOM     26  N   LIG    1       -6.131  -0.217  -0.337  0.00  0.00    -0.149 NA
BRANCH  26  27
ATOM     27  C   LIG    1       -7.219  -0.501  -1.183  0.00  0.00    +0.086 A 
ATOM     28  C   LIG    1       -7.378  -1.800  -1.678  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1       -8.463  -2.123  -2.496  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -9.406  -1.147  -2.818  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -9.267   0.147  -2.320  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -8.181   0.467  -1.502  0.00  0.00    +0.029 A 
ENDBRANCH  26  27
ENDBRANCH  22  25
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10