REMARK  Name = BDB009575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.761   2.658  -0.651  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -0.624   2.267  -1.120  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -1.362   3.132  -1.595  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -1.044   0.961  -0.887  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.100  -0.165  -0.702  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1        1.338   0.232  -0.258  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        1.764   1.541  -0.924  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.652  -1.210   0.270  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.048  -0.853   1.571  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.519  -1.820   2.462  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.595  -3.151   2.061  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.178  -4.342   3.157  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.205  -3.525   0.777  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.734  -2.559  -0.115  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        2.354  -0.879  -0.516  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1        2.906  -1.578   0.571  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.818  -2.612   0.359  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        4.478  -3.457   1.705  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        4.195  -2.968  -0.933  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.653  -2.287  -2.021  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.737  -1.251  -1.815  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        0.670   3.124   0.807  0.00  0.00    +0.133 C 
BRANCH  22  24
ATOM     23  O   LIG    1        2.808   4.276   0.526  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1        1.852   3.959   1.212  0.00  0.00    +0.305 C 
BRANCH  24  25
ATOM     25  O   LIG    1        1.768   4.353   2.497  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1        2.575   4.893   2.638  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1       -2.383   0.627  -1.391  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.446   1.035  -0.412  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -4.885   0.676  -0.693  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -4.160   0.018   0.444  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7