REMARK  Name = BDB021451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.751  -0.525   0.267  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.117   0.533   0.305  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.728   1.714  -0.103  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.122   3.033  -0.021  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -0.512   3.259   1.334  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -1.869   2.855   1.317  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1       -2.138   1.524   1.190  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -3.478   1.256   1.542  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -4.016  -0.035   1.510  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1       -3.189  -1.081   1.112  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.864  -0.826   0.749  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -1.309   0.476   0.771  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        2.024   1.610  -0.801  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.204   1.414   0.169  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1        3.193   2.471   1.146  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1        2.399   2.301   1.683  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1        4.566   1.443  -0.560  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        4.704   0.504  -1.688  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        4.675  -0.913  -1.275  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        5.948  -1.414  -0.626  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        7.181  -0.782  -0.871  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        8.351  -1.291  -0.291  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        8.301  -2.432   0.508  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.085  -3.070   0.739  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.237   0.479  -1.698  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        5.914  -2.567   0.172  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.932   0.750  -2.464  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  C   LIG    1       -5.455  -0.290   1.899  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -6.261  -0.830   0.793  0.00  0.00    -0.293 NA
ATOM     30  C   LIG    1       -6.407   0.156  -0.314  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1       -7.648  -0.045  -1.204  0.00  0.00    +0.261 C 
ATOM     32  F   LIG    1       -7.403   0.406  -2.459  0.00  0.00    -0.204 F 
ATOM     33  F   LIG    1       -8.678   0.703  -0.721  0.00  0.00    -0.204 F 
ATOM     34  C   LIG    1       -8.078  -1.497  -1.252  0.00  0.00    +0.078 C 
ATOM     35  C   LIG    1       -8.304  -2.056   0.157  0.00  0.00    +0.021 C 
ATOM     36  C   LIG    1       -7.577  -1.274   1.261  0.00  0.00    +0.085 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7