REMARK  Name = BDB040395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.545  -2.394   0.039  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -0.537  -1.932  -1.279  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.411  -0.916  -1.691  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -1.239  -0.389  -3.332  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -2.336  -0.332  -0.800  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.315  -0.796   0.533  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -3.316  -0.129   1.780  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.438  -1.811   0.941  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.285   0.769  -1.273  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.749   0.507  -0.926  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -5.257  -0.612  -0.956  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.520   1.611  -0.652  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.492   1.427  -0.446  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -5.202   2.929  -0.864  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -6.057   3.805  -0.782  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -3.785   3.220  -1.294  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -2.824   2.152  -0.799  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.470  -3.409   0.504  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.708  -2.448   0.141  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.644  -2.716   0.986  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.497  -2.078   1.756  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.846  -3.007  -0.944  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        4.268  -1.807   1.994  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        3.667  -1.336   0.653  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        4.841  -1.169  -0.336  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        2.886  -0.006   0.731  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        2.777   0.751   1.908  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        1.995   1.913   1.946  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1        1.312   2.343   0.806  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        1.428   1.618  -0.379  0.00  0.00    +0.019 A 
ATOM     31  C   LIG    1        2.208   0.460  -0.414  0.00  0.00    +0.006 A 
BRANCH  29  32
ATOM     32  C   LIG    1        0.482   3.510   0.852  0.00  0.00    +0.099 C 
ATOM     33  N   LIG    1       -0.213   4.439   0.878  0.00  0.00    -0.191 NA
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6