REMARK  Name = BDB036873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.828  -0.751  -1.341  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1        0.566  -0.592  -1.242  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.385  -1.155  -2.308  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1       -1.358  -1.156  -2.378  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.254  -0.012  -0.073  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1        1.800  -1.086   0.889  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        1.621  -2.296   0.777  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        2.579  -0.598   1.916  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        2.942  -1.314   2.531  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        3.366   0.522   1.837  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        4.333   0.670   2.578  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        2.966   1.563   0.817  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.416   0.914  -0.447  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  16
ATOM     14  C   LIG    1       -3.453   0.656  -1.734  0.00  0.00    +0.046 C 
ATOM     15  C   LIG    1       -2.958   0.233  -0.383  0.00  0.00    -0.020 A 
ATOM     16  C   LIG    1       -1.726  -0.403  -0.181  0.00  0.00    +0.128 A 
ATOM     17  N   LIG    1       -1.280  -0.786   1.050  0.00  0.00    -0.250 NA
ATOM     18  C   LIG    1       -2.093  -0.565   2.103  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -3.329   0.043   2.002  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.764   0.447   0.744  0.00  0.00    +0.007 A 
ENDBRANCH   1  16
TORSDOF 2