REMARK  Name = BDB034308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.582  -0.241  -1.629  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        5.556  -0.192  -0.227  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        4.374  -0.085   0.493  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        3.143   0.000  -0.200  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        1.948   0.131   0.569  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        2.063   0.080   1.959  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        3.318  -0.010   2.531  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        3.172  -0.058  -1.615  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1        4.463  -0.077   1.828  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        4.372  -0.171  -2.320  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM     11  F   LIG    1        7.490   0.875  -2.518  0.00  0.00    -0.166 F 
ATOM     12  C   LIG    1        6.895  -0.339  -2.361  0.00  0.00    +0.417 C 
ATOM     13  F   LIG    1        7.806  -1.124  -1.723  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        6.772  -0.859  -3.615  0.00  0.00    -0.166 F 
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  N   LIG    1        0.702   0.202  -0.080  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        0.767   0.773  -0.920  0.00  0.00    +0.146 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -0.548   0.439   0.640  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.157  -0.883   1.106  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.422  -0.700   1.952  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.549  -0.038   1.301  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -3.283   0.868   0.920  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.157  -0.844   0.243  0.00  0.00    +0.123 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.333  -0.108  -0.330  0.00  0.00    +0.005 A 
ATOM     24  S   LIG    1       -5.200   0.699  -1.841  0.00  0.00    -0.099 S 
ATOM     25  C   LIG    1       -6.826   1.231  -1.773  0.00  0.00    +0.060 A 
ATOM     26  C   LIG    1       -7.442   0.804  -0.624  0.00  0.00    +0.025 A 
ATOM     27 BR   LIG    1       -9.230   1.181  -0.161  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1       -6.597   0.036   0.213  0.00  0.00    +0.027 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   5  15
TORSDOF 8