REMARK  Name = BDB040724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.620   0.326  -0.347  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        3.496  -0.472  -0.568  0.00  0.00    +0.130 A 
ATOM      3  F   LIG    1        3.606  -1.580  -1.315  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        2.250  -0.157  -0.023  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.078   0.977   0.784  0.00  0.00    -0.037 A 
ATOM      6  C   LIG    1        3.206   1.778   1.008  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1        4.447   1.450   0.458  0.00  0.00    +0.130 A 
ATOM      8  F   LIG    1        5.490   2.242   0.742  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1        9.257   1.351   1.122  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        8.309   0.877   0.501  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1        7.926   1.396  -0.709  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        8.447   2.205  -1.020  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        6.786   1.116  -1.423  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        6.457   1.825  -2.373  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        5.948  -0.068  -0.958  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        6.764  -1.006  -0.063  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        7.471  -0.250   1.051  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1        0.727   1.329   1.357  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        0.022   0.335   2.260  0.00  0.00    +0.084 C 
ATOM     20  C   LIG    1        0.559   1.613   2.829  0.00  0.00    +0.033 C 
BRANCH  19  21
ATOM     21  N   LIG    1       -1.380   0.114   2.131  0.00  0.00    -0.278 N 
ATOM     22  H   LIG    1       -2.033   0.555   2.764  0.00  0.00    +0.152 HD
ATOM     23  C   LIG    1       -1.917  -0.744   1.214  0.00  0.00    +0.401 C 
ATOM     24  O   LIG    1       -1.283  -1.393   0.395  0.00  0.00    -0.226 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.265  -0.756   1.357  0.00  0.00    -0.450 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.981  -1.620   0.458  0.00  0.00    +0.237 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.289  -0.869  -0.832  0.00  0.00    +0.028 C 
ATOM     28  C   LIG    1       -5.306   0.307  -0.721  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1       -6.342  -0.620  -1.312  0.00  0.00    -0.029 C 
ATOM     30  C   LIG    1       -7.351  -0.062  -2.286  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -8.367  -0.089  -1.116  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -7.450  -1.121  -0.410  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -5.289  -1.583  -1.789  0.00  0.00    +0.013 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  19  21
ENDBRANCH   5  18
TORSDOF 6