REMARK  Name = BDB061312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.065   0.870   1.712  0.00  0.00    +0.129 A 
ATOM      2  O   LIG    1       -1.585   0.030   0.758  0.00  0.00    -0.455 OA
ATOM      3  C   LIG    1       -2.931   0.235   0.667  0.00  0.00    +0.136 A 
ATOM      4  C   LIG    1       -3.302   1.208   1.568  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -2.121   1.598   2.243  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        0.452   0.643  -1.218  0.00  0.00    +0.068 C 
ATOM      7  C   LIG    1        1.528   0.604  -0.185  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1        1.337   0.751   1.267  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        0.298   0.896   2.097  0.00  0.00    +0.061 C 
ATOM     10  C   LIG    1        2.717   0.712   1.821  0.00  0.00    +0.272 C 
ATOM     11  O   LIG    1        3.002   0.833   2.999  0.00  0.00    -0.268 OA
ATOM     12  N   LIG    1        3.509   0.507   0.683  0.00  0.00    -0.156 N 
ATOM     13  N   LIG    1        2.785   0.447  -0.504  0.00  0.00    -0.177 NA
BRANCH  12  14
ATOM     14  C   LIG    1        4.920   0.377   0.618  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        5.723   0.430   1.765  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        7.111   0.297   1.665  0.00  0.00    +0.043 A 
ATOM     17 CL   LIG    1        8.079   0.366   3.088  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1        7.724   0.110   0.429  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        6.942   0.054  -0.720  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        5.553   0.186  -0.623  0.00  0.00    +0.025 A 
ENDBRANCH  12  14
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -3.644  -0.575  -0.316  0.00  0.00    +0.018 A 
ATOM     22  C   LIG    1       -4.960  -0.256  -0.683  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -5.670  -1.021  -1.631  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1       -5.052  -2.138  -2.203  0.00  0.00    +0.055 A 
ATOM     25 CL   LIG    1       -5.832  -3.177  -3.341  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -3.741  -2.466  -1.845  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -3.045  -1.690  -0.913  0.00  0.00    +0.013 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -7.056  -0.568  -1.919  0.00  0.00    +0.338 C 
ATOM     29  O   LIG    1       -7.711   0.051  -1.094  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.507  -0.800  -3.166  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -6.928  -1.350  -3.729  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH   3  21
TORSDOF 5