REMARK  Name = BDB032803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.380  -2.369   0.164  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        1.357  -1.796   0.990  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.418  -1.154   0.380  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.564  -0.475   0.996  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        4.386  -0.056  -0.040  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.770  -0.271  -1.343  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        3.713  -0.318   2.192  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.543  -1.045  -1.003  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        1.582  -1.592  -1.833  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.499  -2.255  -1.242  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.517   0.851   0.123  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        5.044   2.292   0.370  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        4.001   2.753  -0.090  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        5.921   3.106   1.051  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.623   4.062   1.184  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.189   2.806   1.483  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.915   3.672   1.962  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.667   1.391   1.252  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.502   0.415   1.208  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.819  -3.056   0.768  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.814  -2.075   1.084  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -3.626  -0.923   0.612  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1       -3.312  -0.526   1.485  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -2.804  -1.919   0.167  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1       -2.900  -2.573  -0.860  0.00  0.00    -0.226 OA
BRANCH  22  31
ATOM     26  C   LIG    1       -8.375   1.319  -1.724  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1       -7.132   0.712  -1.139  0.00  0.00    -0.032 A 
ATOM     28  C   LIG    1       -6.450  -0.337  -1.766  0.00  0.00    +0.046 A 
ATOM     29 CL   LIG    1       -7.006  -1.000  -3.264  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -5.294  -0.882  -1.197  0.00  0.00    +0.044 A 
ATOM     31  C   LIG    1       -4.788  -0.395   0.013  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -5.464   0.662   0.658  0.00  0.00    -0.029 A 
ATOM     33  C   LIG    1       -4.985   1.246   1.962  0.00  0.00    +0.045 C 
ATOM     34  C   LIG    1       -6.626   1.201   0.074  0.00  0.00    +0.010 A 
ENDBRANCH  22  31
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5