REMARK  Name = BDB036838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.048  -0.533   2.638  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.288  -0.263   1.424  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        1.044  -0.677   1.415  0.00  0.00    +0.251 C 
ATOM      4  O   LIG    1        1.514  -1.450   2.250  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.038   0.091   0.199  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -1.642   1.504   0.276  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -1.192   2.405   0.980  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -2.702   1.749  -0.568  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -3.087   2.683  -0.532  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -3.364   0.860  -1.376  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -4.330   1.213  -2.046  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -2.808  -0.543  -1.438  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.134  -0.926  -0.129  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        1.959  -0.213   0.348  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1        2.834  -1.125  -0.255  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1        3.684  -0.713  -1.278  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        3.694   0.625  -1.675  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        2.864   1.552  -1.041  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.002   1.137  -0.023  0.00  0.00    +0.017 A 
BRANCH  15  20
ATOM     20  O   LIG    1        2.909  -2.438   0.125  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1        2.529  -2.502   1.030  0.00  0.00    +0.292 HD
ENDBRANCH  15  20
ENDBRANCH   3  14
TORSDOF 3