REMARK  Name = BDB040624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.558  -0.236   1.537  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.161  -1.447   1.206  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.434  -1.481   0.615  0.00  0.00    +0.049 A 
ATOM      4 CL   LIG    1       -3.061  -3.074   0.333  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.147  -0.296   0.306  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.530   0.919   0.677  0.00  0.00    +0.049 A 
ATOM      7 CL   LIG    1       -3.269   2.473   0.492  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.257   0.942   1.271  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.521  -0.331  -0.381  0.00  0.00    +0.215 C 
ATOM     10  C   LIG    1       -4.528  -1.234  -1.637  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1       -3.580  -1.329  -2.417  0.00  0.00    -0.272 OA
ATOM     12  N   LIG    1       -5.707  -1.893  -1.913  0.00  0.00    -0.253 N 
ATOM     13  H   LIG    1       -5.710  -2.456  -2.753  0.00  0.00    +0.158 HD
ATOM     14  C   LIG    1       -6.915  -1.759  -1.280  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.920  -2.318  -1.711  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.954  -0.845  -0.081  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -5.602  -0.781   0.615  0.00  0.00    +0.064 C 
ATOM     18  F   LIG    1       -4.941   0.902  -0.816  0.00  0.00    -0.227 F 
ENDBRANCH   5   9
BRANCH   1  19
ATOM     19  C   LIG    1        0.824  -0.187   2.133  0.00  0.00    +0.139 C 
BRANCH  19  21
ATOM     20  C   LIG    1        2.326   1.416   0.995  0.00  0.00    +0.223 C 
ATOM     21  N   LIG    1        1.794   0.148   1.120  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.076  -0.570   0.466  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1        2.037   2.325   1.770  0.00  0.00    -0.275 OA
BRANCH  20  25
ATOM     24  C   LIG    1        2.374   1.531  -1.479  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        3.269   1.606  -0.222  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1        3.888   3.019  -0.179  0.00  0.00    +0.025 C 
BRANCH  25  27
ATOM     27  C   LIG    1        4.411   0.573  -0.198  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        5.179   0.413   0.974  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.219  -0.516   1.038  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.518  -1.303  -0.069  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.780  -1.156  -1.240  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.739  -0.226  -1.306  0.00  0.00    +0.004 A 
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5