REMARK  Name = BDB030844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.717   1.565   0.969  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.276   2.807   1.165  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.514   2.970   0.586  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.141   2.020  -0.134  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.504   0.858  -0.296  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.310   0.594   0.236  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.255  -0.376   0.079  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        3.983  -0.084   1.435  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.301  -0.111   2.811  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        2.708   0.413   1.770  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        1.721   0.667   0.819  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.576   1.175   1.510  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        0.883   1.183   2.856  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.018   0.421  -0.533  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.175   0.752   2.995  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        2.673   0.654   3.871  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.277  -0.086  -0.885  0.00  0.00    +0.025 A 
BRANCH   7  20
ATOM     18  O   LIG    1        5.700  -2.739   1.164  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        6.085  -2.065   0.221  0.00  0.00    +0.220 C 
ATOM     20  N   LIG    1        5.489  -0.930  -0.353  0.00  0.00    -0.270 N 
ATOM     21  C   LIG    1        6.053  -0.679  -1.654  0.00  0.00    +0.114 C 
ATOM     22  C   LIG    1        7.465  -1.211  -1.524  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1        7.289  -2.424  -0.623  0.00  0.00    +0.098 C 
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -0.639   3.909   1.925  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1        0.662   4.130   1.597  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -0.671   3.716   3.273  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -1.261   5.110   1.727  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -3.066  -0.163  -1.040  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -2.561  -1.011  -0.800  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.522  -0.268  -1.027  0.00  0.00    +0.087 C 
ATOM     31  C   LIG    1       -5.065  -0.723   0.348  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -6.523  -0.901   0.415  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1       -6.948  -0.095   0.875  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -7.154  -1.093  -0.890  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1       -6.293  -1.933  -1.827  0.00  0.00    +0.017 C 
ATOM     36  C   LIG    1       -4.944  -1.271  -2.116  0.00  0.00    +0.025 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 5