REMARK  Name = BDB037084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.524   0.536   0.728  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        2.299   1.065   1.990  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.110   1.266   2.874  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.864   1.352   2.082  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.154   1.925   3.118  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -1.223   2.076   2.943  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -1.854   1.659   1.748  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1       -3.339   1.824   1.599  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1       -3.745   1.691   0.139  0.00  0.00    +0.053 C 
ATOM     10  C   LIG    1       -3.055   0.488  -0.529  0.00  0.00    +0.113 C 
ATOM     11  C   LIG    1       -3.490  -0.862   0.080  0.00  0.00    +0.063 C 
ATOM     12  C   LIG    1       -2.947  -2.046  -0.721  0.00  0.00    +0.085 C 
ATOM     13  N   LIG    1       -3.352  -1.984  -2.126  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1       -4.369  -2.026  -2.188  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -2.875  -0.749  -2.747  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -3.412   0.489  -2.031  0.00  0.00    +0.063 C 
ATOM     17  O   LIG    1       -1.620   0.617  -0.453  0.00  0.00    -0.485 OA
ATOM     18  C   LIG    1       -1.101   1.062   0.726  0.00  0.00    +0.130 A 
ATOM     19  C   LIG    1        0.262   0.924   0.903  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        1.279   0.321  -0.004  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  27
ATOM     21  O   LIG    1        6.204  -2.757  -1.658  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        5.544  -1.944  -1.018  0.00  0.00    +0.219 C 
ATOM     23  N   LIG    1        4.778  -2.339   0.050  0.00  0.00    -0.255 N 
ATOM     24  H   LIG    1        4.739  -3.338   0.199  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        3.742  -1.628   0.614  0.00  0.00    +0.240 C 
ATOM     26  O   LIG    1        2.870  -2.210   1.255  0.00  0.00    -0.273 OA
ATOM     27  C   LIG    1        3.782  -0.108   0.375  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1        4.187   0.157  -1.072  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        5.548  -0.468  -1.338  0.00  0.00    +0.098 C 
ENDBRANCH   1  27
TORSDOF 1