REMARK  Name = BDB028018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.243  -0.085   0.363  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1       -0.429   0.628  -0.527  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -0.879   0.882  -1.824  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.113   0.385  -2.250  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -2.915  -0.367  -1.383  0.00  0.00    -0.050 A 
ATOM      6  C   LIG    1       -4.249  -0.881  -1.839  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -2.480  -0.585  -0.069  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -1.822  -0.257   2.857  0.00  0.00    +0.092 C 
ATOM      9  C   LIG    1       -0.796  -0.343   1.757  0.00  0.00    +0.164 C 
ATOM     10  O   LIG    1        0.371  -0.645   1.992  0.00  0.00    -0.292 OA
ENDBRANCH   1   9
BRANCH   2  11
ATOM     11  O   LIG    1        0.750   1.166  -0.082  0.00  0.00    -0.479 OA
BRANCH  11  12
ATOM     12  C   LIG    1        1.902   0.712  -0.792  0.00  0.00    +0.259 C 
ATOM     13  C   LIG    1        2.151  -0.805  -0.733  0.00  0.00    +0.260 C 
ATOM     14  O   LIG    1        1.733  -1.576  -1.597  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        2.878  -1.276   0.333  0.00  0.00    -0.253 N 
ATOM     16  H   LIG    1        3.014  -2.275   0.374  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        3.562  -0.542   1.268  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        4.301  -1.085   2.087  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        3.363   0.953   1.229  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        3.116   1.428  -0.197  0.00  0.00    +0.063 C 
ENDBRANCH  11  12
ENDBRANCH   2  11
TORSDOF 3