REMARK  Name = BDB054430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.481   0.572   0.436  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.777   0.398   0.112  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -2.564   1.443   0.437  0.00  0.00    +0.188 A 
ATOM      4  C   LIG    1       -2.149   2.611   1.050  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1       -3.201   3.453   1.232  0.00  0.00    -0.126 NA
ATOM      6  N   LIG    1       -4.283   2.854   0.753  0.00  0.00    -0.058 NA
ATOM      7  C   LIG    1       -0.802   2.704   1.350  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1       -3.930   1.628   0.259  0.00  0.00    -0.194 N 
ATOM      9  N   LIG    1        0.018   1.672   1.037  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -4.907   0.770  -0.320  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1       -6.245   1.195  -0.380  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -7.224   0.373  -0.944  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -6.878  -0.876  -1.452  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.554  -1.306  -1.397  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.569  -0.488  -0.834  0.00  0.00    +0.028 A 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  N   LIG    1        0.337  -0.508   0.111  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1       -0.218  -1.221  -0.338  0.00  0.00    +0.155 HD
BRANCH  16  21
ATOM     18  C   LIG    1        4.483  -1.353   0.266  0.00  0.00    -0.025 A 
ATOM     19  C   LIG    1        4.022  -0.088   0.631  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.654   0.212   0.580  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        1.717  -0.736   0.161  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        2.196  -2.010  -0.189  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        3.561  -2.318  -0.138  0.00  0.00    +0.010 A 
BRANCH  18  25
ATOM     24  C   LIG    1        6.887  -1.241  -0.449  0.00  0.00    +0.092 C 
ATOM     25  C   LIG    1        5.904  -1.693   0.345  0.00  0.00    +0.015 C 
BRANCH  24  27
ATOM     26  O   LIG    1        5.715   0.129  -2.078  0.00  0.00    -0.246 OA
ATOM     27  C   LIG    1        6.730  -0.328  -1.593  0.00  0.00    +0.330 C 
BRANCH  27  28
ATOM     28  O   LIG    1        7.942  -0.029  -2.093  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1        7.734   0.572  -2.838  0.00  0.00    +0.295 HD
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  18  25
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 6