REMARK  Name = BDB042449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.421   1.703   0.893  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        2.739   1.046   2.038  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        1.208   1.010   1.869  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.814   0.389   0.597  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.223  -0.532   0.579  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.864  -0.809   1.591  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.647   0.730  -0.569  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.577   1.925  -0.300  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.203   0.103   0.107  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        6.199   0.167  -0.842  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        4.965   0.680  -0.609  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        4.687   1.159   0.625  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        5.657   1.133   1.631  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        6.923   0.601   1.374  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.513  -0.904  -0.479  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.478  -0.451  -0.215  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -0.528  -1.180  -0.764  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.658  -2.214  -0.701  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.089  -1.709  -0.667  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -4.051  -2.682  -0.852  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -3.773  -3.649  -0.977  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -5.412  -2.470  -0.864  0.00  0.00    +0.257 A 
ATOM     23  O   LIG    1       -6.208  -3.385  -1.037  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.860  -1.073  -0.662  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -4.891  -0.076  -0.474  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1       -5.302   1.247  -0.277  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -6.663   1.561  -0.272  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -7.607   0.555  -0.462  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -8.909   0.868  -0.456  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -7.222  -0.764  -0.657  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1       -3.469  -0.433  -0.485  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5