REMARK  Name = BDB036868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.152   1.999  -0.290  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.412   0.658  -0.167  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.312  -0.429   0.327  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.214  -1.418   0.833  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.883   0.580  -0.138  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -2.433   0.594   1.300  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -1.901   1.210   2.224  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.647  -0.027   1.487  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.013   0.001   2.428  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.477  -0.559   0.534  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.604  -0.951   0.824  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.975  -0.544  -0.891  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.456  -0.589  -0.945  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        1.788  -0.424   0.227  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        2.543  -0.688   1.374  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        3.938  -0.723   1.294  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1        4.576  -0.510   0.065  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        3.814  -0.269  -1.085  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        2.419  -0.233  -1.008  0.00  0.00    +0.014 A 
BRANCH  17  20
ATOM     20  C   LIG    1        6.007  -0.547  -0.017  0.00  0.00    +0.099 C 
ATOM     21  N   LIG    1        7.165  -0.572  -0.089  0.00  0.00    -0.191 NA
ENDBRANCH  17  20
ENDBRANCH   3  14
TORSDOF 3