REMARK  Name = BDB012748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.488   2.166  -1.136  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        1.022   1.940  -1.067  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.291   1.003  -2.153  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.336   0.110  -2.290  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.622  -0.365  -3.388  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.259   1.081  -3.168  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.737   2.116  -2.651  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -0.771  -2.262   1.005  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -1.443  -0.977   0.616  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -0.693  -0.046  -0.025  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -1.292   1.122  -0.378  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -2.630   1.388  -0.086  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -3.388   0.432   0.591  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -2.777  -0.769   0.950  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -4.780   0.697   0.912  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.769  -0.259   1.024  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -6.922   0.411   1.316  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -8.231  -0.158   1.524  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1       -6.759   1.743   1.401  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1       -5.458   1.915   1.156  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.036  -0.279  -1.095  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1        2.430  -0.578   0.095  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1        1.433  -0.533   0.299  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        3.281  -0.954   1.065  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        4.475  -0.969   0.458  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        4.369  -0.572  -0.898  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1        5.704  -1.383   1.216  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        6.731  -0.251   1.284  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1        6.333  -2.645   0.623  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4