REMARK  Name = BDB046349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.042  -2.167   1.407  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.657  -1.176   0.786  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1       -0.655  -0.711   0.875  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.052   0.620   0.422  0.00  0.00    +0.161 C 
ATOM      5  C   LIG    1       -2.554   0.779   0.302  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -2.986   1.965  -0.251  0.00  0.00    -0.324 N 
ATOM      7  H   LIG    1       -2.318   2.671  -0.538  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -4.298   2.310  -0.462  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1       -5.312   1.300  -0.082  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.890   0.080   0.474  0.00  0.00    -0.008 A 
ATOM     11  C   LIG    1       -5.876  -0.867   0.791  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -7.233  -0.596   0.575  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -7.629   0.625   0.034  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.669   1.576  -0.298  0.00  0.00    +0.014 A 
ATOM     15  O   LIG    1       -4.604   3.394  -0.944  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -3.443  -0.159   0.690  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -2.975  -1.437   1.337  0.00  0.00    +0.056 C 
ATOM     18  C   LIG    1       -1.537  -1.345   1.848  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   2  19
ATOM     19  C   LIG    1        1.598  -0.398  -0.122  0.00  0.00    +0.111 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.983  -1.050  -0.186  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.899  -0.365  -1.121  0.00  0.00    -0.302 NA
ATOM     22  C   LIG    1        5.116  -1.162  -1.360  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1        6.324  -0.697  -0.551  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1        6.685   0.752  -0.874  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        5.471   1.564  -1.323  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        4.183   1.020  -0.708  0.00  0.00    +0.084 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 3