REMARK  Name = BDB014245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.168  -0.784  -0.435  0.00  0.00    +0.019 A 
ATOM      2  N   LIG    1       -0.184   0.173  -0.548  0.00  0.00    -0.356 N 
ATOM      3  H   LIG    1       -0.259   1.064  -1.028  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        0.953  -0.228   0.115  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        0.686  -1.480   0.656  0.00  0.00    +0.089 A 
ATOM      6  N   LIG    1        1.588  -2.183   1.381  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        2.782  -1.579   1.548  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        3.133  -0.335   1.048  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        2.197   0.381   0.301  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1       -0.641  -1.824   0.308  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        2.550   1.707  -0.236  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1        3.616   2.273  -0.078  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        1.555   2.271  -0.946  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        1.922   3.143  -1.207  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1       -2.521  -0.618  -1.055  0.00  0.00    +0.068 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.465   0.230  -0.201  0.00  0.00    +0.124 C 
BRANCH  16  18
ATOM     17  N   LIG    1       -2.783   2.767  -0.327  0.00  0.00    -0.197 NA
ATOM     18  C   LIG    1       -3.099   1.652  -0.256  0.00  0.00    +0.063 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5