REMARK  Name = BDB030865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.825   1.117  -1.507  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1        1.330   1.488  -2.733  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1        2.509   0.867  -3.074  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1        3.131  -0.044  -2.303  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1        2.550  -0.362  -1.139  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1        1.413   0.194  -0.712  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -4.125   0.251   0.479  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -3.734   1.607   0.467  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1       -4.879   2.984   1.108  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1       -2.465   1.942  -0.031  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1       -1.576   0.983  -0.516  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -0.399   1.669  -0.949  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -0.586   3.010  -0.680  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1       -1.975  -0.368  -0.496  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -1.838   3.164  -0.147  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1       -2.249   4.042   0.141  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1       -3.241  -0.718  -0.001  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1       -6.003  -1.291   1.097  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1       -5.402  -0.072   0.982  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1       -5.974   0.696   1.308  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1       -5.557  -2.384   0.786  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1       -7.987  -2.302   1.818  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1       -7.237  -1.100   1.638  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1        0.695   2.472  -3.643  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1        1.235   2.453  -4.898  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -0.638   2.273  -3.830  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        0.836   3.758  -3.218  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1        3.124  -1.310  -0.289  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        2.661  -1.209   0.607  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        4.563  -1.547  -0.341  0.00  0.00    +0.082 C 
ATOM     31  C   LIG    1        5.553  -0.766   0.480  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1        5.187   0.012   1.699  0.00  0.00    +0.086 C 
ATOM     33  N   LIG    1        5.211  -1.000   2.761  0.00  0.00    -0.315 NA
ATOM     34  H   LIG    1        4.587  -0.740   3.520  0.00  0.00    +0.122 HD
ATOM     35  C   LIG    1        4.825  -2.293   2.187  0.00  0.00    +0.086 C 
ATOM     36  C   LIG    1        5.319  -2.207   0.782  0.00  0.00    +0.029 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6