REMARK  Name = BDB020212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.869  -0.065   0.440  0.00  0.00    +0.124 C 
ATOM      2  C   LIG    1       -1.812  -1.196   0.822  0.00  0.00    +0.228 C 
ATOM      3  O   LIG    1       -1.452  -2.336   1.109  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -3.150  -0.872   0.883  0.00  0.00    -0.256 N 
ATOM      5  H   LIG    1       -3.772  -1.621   1.156  0.00  0.00    +0.157 HD
ATOM      6  C   LIG    1       -3.753   0.314   0.548  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1       -4.971   0.448   0.622  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -2.838   1.442   0.145  0.00  0.00    +0.097 C 
ATOM      9  C   LIG    1       -1.571   0.912  -0.507  0.00  0.00    +0.028 C 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.727  -0.152  -0.327  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        1.539   0.187   0.220  0.00  0.00    -0.217 NA
ATOM     12  C   LIG    1        0.443  -0.517  -0.166  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1        0.515  -1.531  -1.121  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        1.752  -1.855  -1.671  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        2.881  -1.155  -1.268  0.00  0.00    +0.067 A 
BRANCH  10  17
ATOM     16  C   LIG    1        3.645   1.511   1.038  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1        3.874   0.524   0.038  0.00  0.00    -0.480 OA
ENDBRANCH  10  17
ENDBRANCH   1  12
TORSDOF 2