REMARK  Name = BDB004474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.457  -4.991  -0.395  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.893  -3.663   0.023  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1       -1.565  -3.567   0.460  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1       -1.089  -2.314   0.799  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.233  -1.938   1.308  0.00  0.00    +0.250 C 
ATOM      6  N   LIG    1        0.214  -0.573   1.514  0.00  0.00    -0.257 N 
ATOM      7  C   LIG    1       -1.053   0.034   1.148  0.00  0.00    +0.189 C 
ATOM      8  O   LIG    1        1.141  -2.721   1.512  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.865  -1.161   0.713  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -3.178  -1.239   0.277  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -3.685  -2.496  -0.075  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -0.941   1.107   0.071  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.375   2.425   0.305  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -1.255   3.409  -0.681  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.700   3.087  -1.917  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.541   4.301  -3.124  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.272   1.790  -2.179  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.394   0.807  -1.193  0.00  0.00    +0.010 A 
ENDBRANCH   7  12
BRANCH   7  19
ATOM     19  O   LIG    1       -1.616   0.539   2.347  0.00  0.00    -0.364 OA
ATOM     20  H   LIG    1       -1.713  -0.230   2.931  0.00  0.00    +0.213 HD
ENDBRANCH   7  19
BRANCH   6  21
ATOM     21  C   LIG    1        1.323   0.169   2.087  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.229   0.788   1.048  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.009  -0.024   0.209  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        3.825   0.542  -0.773  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.865   1.934  -0.916  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        3.104   2.759  -0.080  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        2.292   2.183   0.900  0.00  0.00    +0.007 A 
BRANCH  25  28
ATOM     28  N   LIG    1        4.714   2.534  -1.952  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        5.273   1.771  -2.753  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        4.822   3.768  -1.966  0.00  0.00    -0.126 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5