REMARK  Name = BDB021277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.096   1.080  -0.228  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.864   1.248  -0.945  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.247   0.581  -0.462  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.316   0.944  -1.249  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.791   1.773  -2.210  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.203  -0.262   0.660  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.911  -0.405   1.319  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.556   1.955  -2.021  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        2.024   0.265   0.852  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        5.364   2.546  -0.667  0.00  0.00    -0.271 N 
ATOM     11  N   LIG    1        4.855   2.897  -1.859  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1        3.613   2.407  -1.827  0.00  0.00    +0.143 A 
ATOM     13  C   LIG    1        3.323   1.728  -0.619  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        4.490   1.839   0.111  0.00  0.00    +0.117 A 
BRANCH  10  16
ATOM     15  C   LIG    1        7.756   1.999  -0.891  0.00  0.00    +0.029 C 
ATOM     16  C   LIG    1        6.715   2.943  -0.318  0.00  0.00    +0.140 C 
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   5  17
ATOM     17  C   LIG    1       -1.496   2.404  -3.284  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1       -2.107   2.886  -4.146  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1       -1.332  -0.921   1.095  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.121  -1.285   2.026  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.858  -2.033   0.304  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.041  -2.641   0.999  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.221  -1.941   1.238  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.614  -0.560   0.862  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.873  -0.420   1.717  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.397  -1.738   1.996  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.305  -2.555   1.854  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -5.277  -3.875   2.256  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -4.103  -4.594   2.038  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -3.007  -3.979   1.419  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -1.900  -4.708   1.218  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 6