REMARK  Name = BDB030268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.508  -1.639  -1.305  0.00  0.00    +0.087 C 
ATOM      2  C   LIG    1        2.041  -1.616  -1.337  0.00  0.00    +0.024 C 
ATOM      3  C   LIG    1        0.888  -0.803  -0.869  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        0.559  -1.530   0.358  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1       -0.611  -1.473   1.098  0.00  0.00    +0.267 C 
ATOM      6  O   LIG    1       -0.784  -2.246   2.044  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        1.642  -2.434   0.737  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1        2.800  -1.834   0.014  0.00  0.00    +0.024 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.542   2.242  -0.754  0.00  0.00    +0.111 C 
ATOM     10  C   LIG    1        5.554   1.365  -1.401  0.00  0.00    +0.214 A 
ATOM     11  O   LIG    1        5.172   0.243  -0.718  0.00  0.00    -0.425 OA
ATOM     12  C   LIG    1        4.271  -0.315  -1.586  0.00  0.00    +0.221 A 
ATOM     13  N   LIG    1        4.124   0.392  -2.687  0.00  0.00    -0.112 NA
ATOM     14  N   LIG    1        4.958   1.485  -2.567  0.00  0.00    -0.113 NA
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1       -1.651  -0.477   0.753  0.00  0.00    +0.147 A 
ATOM     16  N   LIG    1       -1.501   0.525  -0.135  0.00  0.00    -0.169 NA
ATOM     17  N   LIG    1       -2.670   1.181  -0.112  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1       -2.778   1.987  -0.719  0.00  0.00    +0.189 HD
ATOM     19  C   LIG    1       -3.584   0.658   0.759  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -2.948  -0.417   1.339  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -4.949   1.244   0.939  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -6.032   0.233   0.562  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -5.147   1.739   2.372  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH   5  15
TORSDOF 3