REMARK  Name = BDB047349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.051  -0.360  -1.662  0.00  0.00    -0.022 A 
ATOM      2  C   LIG    1        0.745   0.779  -1.833  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.974   0.893  -1.175  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.444  -0.129  -0.336  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        1.644  -1.272  -0.179  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.413  -1.388  -0.834  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.736  -0.006   0.358  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        4.725  -0.997   0.229  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        5.953  -0.881   0.887  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        6.207   0.230   1.686  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        7.717   0.374   2.497  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        5.245   1.225   1.830  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        4.018   1.107   1.169  0.00  0.00    +0.010 A 
ENDBRANCH   4   7
BRANCH   1  14
ATOM     14  C   LIG    1       -1.377  -0.482  -2.367  0.00  0.00    +0.196 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.206   0.655  -2.093  0.00  0.00    -0.361 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -2.891   0.555  -0.820  0.00  0.00    +0.227 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.147   1.997  -0.361  0.00  0.00    +0.334 C 
ATOM     18  O   LIG    1       -3.716   2.317   0.672  0.00  0.00    -0.248 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -2.669   2.908  -1.248  0.00  0.00    -0.479 OA
ATOM     20  H   LIG    1       -2.273   2.401  -1.995  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
BRANCH  16  21
ATOM     21  C   LIG    1       -4.212  -0.202  -1.008  0.00  0.00    +0.043 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.683  -0.641   1.470  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -4.484  -1.239   0.087  0.00  0.00    -0.000 C 
ENDBRANCH  21  23
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 8