REMARK  Name = BDB033096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.463  -1.821  -0.119  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.882  -1.607   0.566  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.818  -2.236  -0.330  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.317  -2.316  -1.620  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.934  -2.663  -2.615  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.111  -1.830  -1.608  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.795  -1.020  -0.004  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.452  -0.817   0.220  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        1.162   0.151   0.345  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        3.245  -2.108  -0.350  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        7.492   0.645   0.231  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        6.021   0.940   0.279  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        5.087  -0.094   0.119  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.705   0.154   0.192  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1        3.269   1.466   0.434  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1        4.194   2.499   0.610  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        5.563   2.234   0.539  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  O   LIG    1        1.932   1.766   0.499  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        1.837   2.727   0.630  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.221  -2.399  -0.005  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.956  -1.081   0.044  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.297  -0.417  -1.142  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -4.959   0.812  -1.104  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -5.285   1.408   0.123  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1       -4.948   0.739   1.310  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -4.286  -0.490   1.271  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -6.017   2.725   0.168  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1       -7.368   2.568   0.234  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -5.783   3.509  -0.921  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -5.677   3.485   1.248  0.00  0.00    -0.166 F 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6