REMARK  Name = BDB048171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.028   1.846   0.204  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -1.259   1.263   0.317  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.347   2.084   0.638  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -2.167   3.456   0.825  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -0.894   4.024   0.699  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1        0.209   3.214   0.411  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.385  -0.134   0.125  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -2.288  -0.500  -0.992  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -2.604  -2.012  -0.957  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -3.256  -2.479   0.287  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -4.682  -2.727   0.098  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.034  -1.539   1.407  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.639  -0.875   1.389  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1        2.392   1.249  -0.377  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1        1.075   0.957  -0.116  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        0.753  -0.009  -0.168  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        2.888   2.368  -0.447  0.00  0.00    -0.270 OA
BRANCH  14  22
ATOM     18  C   LIG    1        4.216  -3.451   0.462  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        4.131  -2.169  -0.319  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.296  -1.102   0.072  0.00  0.00    +0.059 A 
ATOM     21 CL   LIG    1        2.372  -1.256   1.534  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        3.252   0.078  -0.695  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1        4.069   0.205  -1.830  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        4.900  -0.842  -2.215  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        4.920  -2.013  -1.466  0.00  0.00    +0.128 A 
ATOM     26  F   LIG    1        5.729  -3.005  -1.862  0.00  0.00    -0.205 F 
ENDBRANCH  14  22
ENDBRANCH   1  15
BRANCH   5  27
ATOM     27  C   LIG    1       -0.757   5.484   0.919  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -1.480   6.105   1.680  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        0.194   6.070   0.161  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        0.629   5.490  -0.492  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 5