REMARK  Name = BDB047613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.509   3.253   0.533  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -1.385   1.777   0.273  0.00  0.00    -0.026 A 
ATOM      3  C   LIG    1       -0.145   1.086   0.190  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        1.141   1.565   0.316  0.00  0.00    -0.354 N 
ATOM      5  H   LIG    1        1.379   2.529   0.496  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1        2.067   0.562   0.166  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        1.365  -0.619  -0.067  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        2.110  -1.803  -0.255  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        3.509  -1.763  -0.203  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.175  -0.565   0.032  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        3.466   0.623   0.222  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -0.031  -0.295  -0.054  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -1.233  -0.986  -0.216  0.00  0.00    +0.061 A 
ATOM     14  C   LIG    1       -1.516  -2.396  -0.476  0.00  0.00    +0.260 A 
ATOM     15  N   LIG    1       -2.873  -2.511  -0.540  0.00  0.00    -0.289 N 
ATOM     16  H   LIG    1       -3.351  -3.380  -0.711  0.00  0.00    +0.172 HD
ATOM     17  C   LIG    1       -3.504  -1.323  -0.348  0.00  0.00    +0.259 A 
ATOM     18  O   LIG    1       -4.697  -1.100  -0.346  0.00  0.00    -0.267 OA
ATOM     19  O   LIG    1       -0.714  -3.296  -0.612  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -2.453  -0.331  -0.137  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1       -2.561   1.022   0.101  0.00  0.00    +0.019 A 
ENDROOT
TORSDOF 0