REMARK  Name = BDB037043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.898   0.065   0.582  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        1.991  -1.281   0.888  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        2.990  -1.952   1.055  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.620  -1.794   0.961  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        0.205  -3.067   1.293  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.164  -3.310   1.275  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.074  -2.290   0.922  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -1.650  -0.989   0.576  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1       -0.265  -0.769   0.611  0.00  0.00    -0.012 A 
ATOM     10  C   LIG    1        0.527   0.465   0.295  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        6.835   1.793  -1.148  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        5.730   1.474  -0.717  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        4.799   0.879  -1.531  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        5.094   0.693  -2.480  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        3.489   0.575  -1.239  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        2.736   0.166  -2.122  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        3.026   0.902   0.190  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        4.204   0.842   1.162  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        5.293   1.794   0.693  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1       -2.618   0.125   0.167  0.00  0.00    +0.094 C 
ATOM     21  C   LIG    1       -2.456   0.495  -1.328  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -3.667   0.076  -2.155  0.00  0.00    +0.084 C 
ATOM     23  N   LIG    1       -4.901   0.715  -1.702  0.00  0.00    -0.316 NA
ATOM     24  H   LIG    1       -5.705   0.205  -2.065  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -4.996   0.863  -0.250  0.00  0.00    +0.084 C 
ATOM     26  C   LIG    1       -4.106  -0.122   0.506  0.00  0.00    +0.055 C 
BRANCH  20  27
ATOM     27  O   LIG    1       -2.228   1.280   0.939  0.00  0.00    -0.384 OA
ATOM     28  H   LIG    1       -2.211   1.005   1.873  0.00  0.00    +0.211 HD
ENDBRANCH  20  27
ENDBRANCH   8  20
TORSDOF 3