REMARK  Name = BDB005549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.618  -0.792   0.323  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -0.889   0.389   0.028  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        0.599   0.415   0.091  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        1.287   1.482  -0.501  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1        0.571   2.568  -1.008  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        1.054   3.373  -1.382  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -0.779   2.704  -0.862  0.00  0.00    +0.254 A 
ATOM      8  O   LIG    1       -1.351   3.735  -1.204  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        2.683   1.529  -0.523  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        3.422   0.530   0.113  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        2.764  -0.490   0.796  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        1.363  -0.527   0.793  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -1.518   1.534  -0.316  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -3.006   1.679  -0.194  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -3.545   0.703   0.847  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1       -3.087  -0.710   0.519  0.00  0.00    +0.105 C 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -1.290  -2.083  -1.791  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -1.232  -2.102  -0.268  0.00  0.00    +0.102 C 
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  O   LIG    1        3.360  -1.498   1.502  0.00  0.00    -0.495 OA
ATOM     20  C   LIG    1        4.780  -1.491   1.564  0.00  0.00    +0.277 C 
ENDBRANCH  11  19
TORSDOF 2