REMARK  Name = BDB048857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.274   0.912   0.274  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.601   1.544   0.689  0.00  0.00    +0.075 C 
BRANCH   2  11
ATOM      3  O   LIG    1       -4.962   1.157  -3.370  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -4.860   0.804  -2.202  0.00  0.00    +0.259 A 
ATOM      5  C   LIG    1       -5.780  -0.169  -1.589  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -5.567  -0.497  -0.247  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -6.426  -1.417   0.358  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -7.473  -1.995  -0.366  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -7.672  -1.657  -1.705  0.00  0.00    +0.001 A 
ATOM     10  N   LIG    1       -4.525   0.063   0.513  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1       -3.746   0.916  -0.067  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1       -6.824  -0.740  -2.324  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1       -3.879   1.291  -1.376  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1       -3.244   1.955  -1.797  0.00  0.00    +0.170 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.114   1.474   1.104  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.201   1.023   0.624  0.00  0.00    -0.298 NA
ATOM     17  C   LIG    1        2.278   1.751   1.317  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1        3.656   1.422   0.717  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        3.850  -0.057   0.500  0.00  0.00    -0.042 C 
ATOM     20  C   LIG    1        2.798  -0.893   0.561  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1        1.385  -0.429   0.790  0.00  0.00    +0.112 C 
BRANCH  19  22
ATOM     22  C   LIG    1        5.210  -0.566   0.251  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1        5.475  -1.349  -0.884  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        6.763  -1.831  -1.133  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        7.795  -1.533  -0.247  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        9.381  -2.126  -0.551  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        7.550  -0.759   0.884  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.261  -0.276   1.131  0.00  0.00    +0.009 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5