REMARK  Name = BDB004481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.486   3.185  -1.417  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.305   2.487  -0.814  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.047   1.731   0.316  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -1.209   1.006   0.781  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -2.274   1.446  -0.190  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1       -3.622   1.112  -0.227  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -4.410   1.650  -1.246  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.851   2.512  -2.205  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -2.494   2.852  -2.159  0.00  0.00    +0.053 A 
ATOM     10 CL   LIG    1       -1.864   3.914  -3.351  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1       -1.727   2.311  -1.144  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -1.032  -0.506   0.831  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.189  -1.221   2.033  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -1.012  -2.607   2.075  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.677  -3.299   0.914  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.447  -5.002   0.971  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.526  -2.620  -0.290  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.704  -1.234  -0.332  0.00  0.00    +0.010 A 
ENDBRANCH   4  12
BRANCH   4  19
ATOM     19  O   LIG    1       -1.541   1.548   2.046  0.00  0.00    -0.364 OA
ATOM     20  H   LIG    1       -1.343   2.495   1.965  0.00  0.00    +0.213 HD
ENDBRANCH   4  19
BRANCH   3  21
ATOM     21  C   LIG    1        1.251   1.680   0.970  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.114   0.528   0.509  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.610   0.490  -0.804  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        3.385  -0.586  -1.242  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.672  -1.633  -0.358  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        3.197  -1.605   0.958  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        2.424  -0.523   1.387  0.00  0.00    +0.007 A 
BRANCH  25  28
ATOM     28  N   LIG    1        4.478  -2.771  -0.815  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        4.820  -3.612   0.028  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        4.769  -2.825  -2.019  0.00  0.00    -0.126 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5