REMARK  Name = BDB063187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.341   1.369  -1.766  0.00  0.00    -0.488 OA
ENDROOT
BRANCH   1   6
ATOM      2  N   LIG    1        3.918   0.333  -0.066  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        4.013   0.890  -1.418  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1        2.643   0.771  -2.108  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1        2.552  -0.511  -2.944  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1        1.478   0.817  -1.087  0.00  0.00    +0.179 C 
ATOM      7  C   LIG    1        1.862   1.702   0.099  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1        3.041   1.087   0.854  0.00  0.00    +0.109 C 
BRANCH   2  14
ATOM      9  C   LIG    1        7.465   0.205   1.034  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        7.522  -0.888   1.819  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1        6.369  -1.581   1.960  0.00  0.00    +0.136 A 
ATOM     12  C   LIG    1        5.164  -1.228   1.363  0.00  0.00    +0.080 A 
ATOM     13 CL   LIG    1        3.796  -2.254   1.604  0.00  0.00    -0.080 Cl
ATOM     14  C   LIG    1        5.118  -0.079   0.551  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        6.311   0.641   0.395  0.00  0.00    +0.091 A 
BRANCH   9  17
ATOM     16  C   LIG    1        9.748   0.444   1.488  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1        8.599   0.966   0.828  0.00  0.00    -0.480 OA
ENDBRANCH   9  17
ENDBRANCH   2  14
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.906   0.946  -1.405  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -1.239   0.232  -0.260  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -2.573  -0.129  -0.008  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -3.608   0.207  -0.888  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1       -3.249   0.941  -2.030  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -1.923   1.308  -2.285  0.00  0.00    +0.047 A 
BRANCH  21  24
ATOM     24  N   LIG    1       -4.947  -0.108  -0.673  0.00  0.00    -0.326 N 
ATOM     25  C   LIG    1       -5.476  -0.610   0.622  0.00  0.00    +0.087 C 
ATOM     26  C   LIG    1       -6.691  -1.477   0.207  0.00  0.00    +0.008 C 
ATOM     27  C   LIG    1       -7.022  -2.575   1.207  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -6.261  -2.028  -1.143  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -5.597  -0.822  -1.793  0.00  0.00    +0.106 C 
BRANCH  25  30
ATOM     30  C   LIG    1       -5.938   0.549   1.499  0.00  0.00    +0.143 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.812   1.101   2.323  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1       -4.557   0.724   3.457  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -4.101   2.065   1.701  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -4.318   2.126   0.746  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8