REMARK  Name = BDB002509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.316   0.471   0.361  0.00  0.00    +0.124 C 
ATOM      2  N   LIG    1       -0.808   1.557  -0.508  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        0.045   2.720  -0.739  0.00  0.00    +0.133 C 
ATOM      4  C   LIG    1       -2.190   1.808  -0.570  0.00  0.00    +0.247 C 
ATOM      5  O   LIG    1       -2.664   2.840  -1.041  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -3.119   0.789   0.000  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -2.652  -0.452   0.453  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1       -3.561  -1.381   0.987  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -4.918  -1.068   1.076  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -5.380   0.167   0.628  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.484   1.092   0.090  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -1.190  -0.803   0.318  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1        3.917  -0.536   0.021  0.00  0.00    +0.134 A 
ATOM     14  C   LIG    1        3.120  -0.422  -1.127  0.00  0.00    +0.060 A 
ATOM     15 BR   LIG    1        3.832  -0.709  -2.866  0.00  0.00    -0.047 Br
ATOM     16  C   LIG    1        1.763  -0.091  -1.029  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        1.168   0.141   0.220  0.00  0.00    -0.025 A 
ATOM     18  C   LIG    1        1.968   0.022   1.365  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.326  -0.309   1.267  0.00  0.00    +0.047 A 
BRANCH  13  21
ATOM     20  C   LIG    1        6.049  -1.015   0.988  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.234  -0.862  -0.166  0.00  0.00    -0.494 OA
ENDBRANCH  13  21
ENDBRANCH   1  17
BRANCH  12  22
ATOM     22  C   LIG    1       -0.951  -1.678  -0.896  0.00  0.00    +0.314 C 
ATOM     23  O   LIG    1       -0.476  -2.804  -0.868  0.00  0.00    -0.250 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -1.336  -1.139  -2.068  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -1.153  -1.833  -2.736  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  12  22
TORSDOF 4