REMARK  Name = BDB009580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.889   2.482   0.662  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -0.481   2.341   0.013  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -1.191   3.334  -0.153  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -0.924   1.052  -0.267  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.032  -0.130  -0.306  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1        1.344   0.058   0.395  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        1.884   1.463   0.122  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.721  -1.373   0.259  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.251  -1.379   1.561  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.847  -2.529   2.081  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.918  -3.683   1.305  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.656  -5.099   1.944  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.397  -3.697   0.013  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.799  -2.547  -0.508  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        2.355  -1.014  -0.002  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1        2.727  -1.994   0.934  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.632  -2.998   0.585  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        4.071  -4.191   1.744  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        4.180  -3.042  -0.694  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.817  -2.078  -1.632  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.910  -1.072  -1.290  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        1.411   3.923   0.556  0.00  0.00    +0.133 C 
BRANCH  22  24
ATOM     23  O   LIG    1        1.496   3.794  -1.889  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1        1.488   4.444  -0.858  0.00  0.00    +0.305 C 
BRANCH  24  25
ATOM     25  O   LIG    1        1.614   5.785  -0.892  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1        1.623   6.000  -1.848  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1       -2.194   0.956  -0.998  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.367   1.006  -0.064  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -4.761   0.851  -0.624  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -4.183  -0.225   0.247  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7