REMARK  Name = BDB013188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.308   0.472   0.272  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.700  -0.795   0.512  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.672  -0.834   0.556  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.995  -2.126   0.854  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.099  -2.850   0.931  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.478   0.289   0.356  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.927   1.457   0.159  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.171  -2.010   0.718  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.453   1.510   0.118  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.136   2.450   2.074  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        3.538   1.527   0.984  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        2.728   0.661   0.203  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        3.603   0.013  -0.651  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        3.379  -1.009  -1.709  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1        4.849   0.491  -0.323  0.00  0.00    -0.265 N 
ATOM     16  N   LIG    1        4.826   1.437   0.635  0.00  0.00    -0.176 NA
BRANCH  15  17
ATOM     17  C   LIG    1        6.128   0.090  -0.876  0.00  0.00    +0.174 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.731  -1.122  -0.161  0.00  0.00    +0.133 C 
ATOM     19  C   LIG    1        7.307  -0.777   1.208  0.00  0.00    +0.039 C 
BRANCH  18  20
ATOM     20  O   LIG    1        7.783  -1.652  -0.977  0.00  0.00    -0.390 OA
ATOM     21  H   LIG    1        8.153  -2.421  -0.509  0.00  0.00    +0.210 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  22
ATOM     22  N   LIG    1       -2.850   0.185   0.388  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.229   1.127   0.489  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.535  -0.460  -0.729  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.997  -0.569  -0.424  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.899   0.461  -0.671  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.679   1.824  -1.213  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.132   2.230  -1.467  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.996   1.437  -0.622  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.241   0.331  -0.332  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.745  -0.807   0.265  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.861  -1.854   0.518  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.508  -1.728   0.177  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.682  -2.751   0.444  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7