REMARK  Name = BDB057199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.121  -0.166   0.750  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -3.660   0.202  -0.622  0.00  0.00    +0.270 A 
ATOM      3  O   LIG    1       -4.827   0.555  -0.774  0.00  0.00    -0.266 OA
ATOM      4  N   LIG    1       -2.767   0.145  -1.663  0.00  0.00    -0.327 N 
ATOM      5  H   LIG    1       -3.140   0.387  -2.573  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1       -1.445  -0.192  -1.524  0.00  0.00    +0.094 A 
ATOM      7  C   LIG    1       -0.936  -0.496  -0.317  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.817  -0.475   0.841  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        0.494  -0.852  -0.226  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1        1.512   0.117  -0.036  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        2.841  -0.356   0.037  0.00  0.00    +0.072 A 
ATOM     12  C   LIG    1        3.868   0.561   0.220  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        3.626   1.932   0.333  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        2.325   2.407   0.265  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1        3.159  -1.657  -0.060  0.00  0.00    -0.255 NA
ATOM     16  C   LIG    1        2.163  -2.550  -0.231  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        1.274   1.509   0.082  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        0.832  -2.203  -0.318  0.00  0.00    +0.029 A 
ENDBRANCH   7   9
BRANCH   1  19
ATOM     19  N   LIG    1       -4.007  -0.137   1.815  0.00  0.00    -0.354 N 
ATOM     20  H   LIG    1       -3.583   0.171   2.684  0.00  0.00    +0.142 HD
ATOM     21  H   LIG    1       -4.842   0.400   1.567  0.00  0.00    +0.142 HD
ENDBRANCH   1  19
TORSDOF 2