REMARK  Name = BDB040455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.540   2.139  -0.769  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -0.747   1.730   0.551  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.603   0.662   0.848  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -1.762   0.262   2.526  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -2.289  -0.036  -0.168  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.098   0.416  -1.493  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -2.908  -0.287  -2.854  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.231   1.477  -1.786  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.194  -1.218   0.173  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -2.874  -2.481  -0.625  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -1.730  -2.817  -0.926  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -3.938  -3.297  -0.928  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -3.714  -4.137  -1.444  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -5.216  -3.228  -0.435  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -6.022  -4.131  -0.638  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.539  -2.040   0.437  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -4.676  -0.841   0.078  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.484   3.200  -1.091  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.570   2.885   0.184  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.807   2.639  -0.943  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.937   1.710  -1.344  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.324   3.812   0.954  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        3.717   1.871   0.420  0.00  0.00    +0.083 C 
ATOM     24  C   LIG    1        4.570   2.352   1.613  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1        4.652   1.835  -0.808  0.00  0.00    +0.027 C 
BRANCH  23  30
ATOM     26  C   LIG    1        0.926  -3.179   1.029  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1        1.705  -1.908   0.913  0.00  0.00    -0.032 A 
ATOM     28  C   LIG    1        1.885  -1.276  -0.307  0.00  0.00    +0.114 A 
ATOM     29  N   LIG    1        2.553  -0.107  -0.466  0.00  0.00    -0.259 NA
ATOM     30  C   LIG    1        3.073   0.494   0.642  0.00  0.00    +0.056 A 
ATOM     31  C   LIG    1        2.916  -0.072   1.907  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1        2.229  -1.279   2.038  0.00  0.00    +0.006 A 
ENDBRANCH  23  30
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5