REMARK  Name = BDB047829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.074  -0.767  -2.139  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -0.272  -0.043  -0.936  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -1.486  -0.270  -0.252  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -2.512  -1.092  -0.759  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -2.316  -1.697  -2.002  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.115  -1.531  -2.688  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        0.649   0.922  -0.486  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        0.916   2.014  -1.465  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        0.716   3.418  -0.845  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        1.466   3.687   0.402  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        2.733   4.364   0.137  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        1.693   2.444   1.173  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        0.617   1.364   0.925  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   4  14
ATOM     14  C   LIG    1       -3.765  -1.285  -0.010  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -5.011  -1.026  -0.600  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -6.201  -1.209   0.116  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -6.180  -1.696   1.423  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -4.944  -1.899   2.036  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -3.752  -1.716   1.325  0.00  0.00    +0.010 A 
BRANCH  17  20
ATOM     20  N   LIG    1       -7.360  -1.763   2.171  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1       -8.194  -1.910   1.611  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -7.310  -2.395   2.963  0.00  0.00    +0.142 HD
ENDBRANCH  17  20
ENDBRANCH   4  14
BRANCH   1  24
ATOM     23  C   LIG    1        2.442  -0.866  -2.440  0.00  0.00    +0.250 C 
ATOM     24  N   LIG    1        1.133  -0.797  -2.869  0.00  0.00    -0.280 N 
ATOM     25  H   LIG    1        1.068  -0.981  -3.863  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        3.339  -0.832  -3.283  0.00  0.00    -0.270 OA
BRANCH  23  31
ATOM     27  C   LIG    1        5.231  -0.108   1.737  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        4.162  -0.830   0.966  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        3.817  -0.475  -0.356  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1        4.659   0.846  -1.110  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        2.796  -1.171  -1.032  0.00  0.00    +0.056 A 
ATOM     32  C   LIG    1        2.167  -2.262  -0.407  0.00  0.00    +0.017 A 
ATOM     33  C   LIG    1        2.504  -2.614   0.896  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1        3.486  -1.897   1.568  0.00  0.00    +0.128 A 
ATOM     35  F   LIG    1        3.788  -2.259   2.824  0.00  0.00    -0.205 F 
ENDBRANCH  23  31
ENDBRANCH   1  24
TORSDOF 5