REMARK  Name = BDB031584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.448   0.038  -0.727  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -0.050   0.131   0.201  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.268  -0.719  -1.631  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1       -0.233  -1.139  -2.674  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.601   0.732   0.851  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.542   0.548   0.258  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.914  -0.671   0.296  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.344  -1.338   0.923  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.569  -0.866   0.088  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -1.976  -1.792   0.639  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.893   0.156  -0.838  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.359   1.551  -0.443  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.873   1.629  -0.559  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.700  -1.075  -1.244  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1        2.400  -0.085  -0.352  0.00  0.00    -0.032 A 
ATOM     16  C   LIG    1        2.477  -0.559   0.963  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1        3.049   0.206   1.965  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        3.566   1.459   1.629  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.495   1.932   0.309  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        1.825  -1.899   1.093  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        2.906   1.159  -0.693  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.740  -2.348  -0.374  0.00  0.00    +0.022 C 
ENDBRANCH   3  14
TORSDOF 2