REMARK  Name = BDB045606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.411   0.118   0.187  0.00  0.00    +0.050 A 
ATOM      2  N   LIG    1        1.054   1.054   0.961  0.00  0.00    -0.322 N 
ATOM      3  H   LIG    1        0.507   1.697   1.522  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1        2.421   1.181   1.068  0.00  0.00    +0.257 A 
ATOM      5  O   LIG    1        2.943   2.032   1.779  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        3.231   0.230   0.272  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        2.571  -0.716  -0.516  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        3.366  -1.586  -1.246  0.00  0.00    +0.119 A 
ATOM      9  N   LIG    1        4.721  -1.566  -1.231  0.00  0.00    -0.263 NA
ATOM     10  C   LIG    1        5.317  -0.634  -0.454  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1        4.623   0.282   0.312  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        1.110  -0.760  -0.550  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1       -5.378   0.180   0.200  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -3.879   0.152   0.169  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -3.156   1.286  -0.220  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -1.759   1.270  -0.218  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -1.060   0.123   0.180  0.00  0.00    -0.002 A 
ATOM     18  C   LIG    1       -1.785  -1.005   0.585  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -3.183  -0.989   0.584  0.00  0.00    +0.004 A 
ENDBRANCH   1  17
TORSDOF 1