REMARK  Name = BDB003282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.006   1.174  -0.380  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        1.037   0.290  -0.722  0.00  0.00    +0.148 A 
ATOM      3  O   LIG    1        0.679  -0.860  -1.468  0.00  0.00    -0.421 OA
ATOM      4  C   LIG    1        1.574  -1.838  -1.868  0.00  0.00    +0.345 A 
ATOM      5  C   LIG    1        2.990  -1.629  -1.491  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        3.386  -0.497  -0.761  0.00  0.00    -0.000 A 
ATOM      7  C   LIG    1        4.755  -0.381  -0.449  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        5.684  -1.350  -0.848  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        5.269  -2.462  -1.569  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.923  -2.603  -1.891  0.00  0.00    +0.015 A 
ATOM     11  O   LIG    1        1.207  -2.821  -2.500  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1        2.376   0.495  -0.361  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        2.660   1.658   0.373  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        1.652   2.565   0.718  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        0.335   2.321   0.339  0.00  0.00    +0.125 A 
ENDROOT
BRANCH  15  16
ATOM     16  O   LIG    1       -0.635   3.231   0.652  0.00  0.00    -0.506 OA
ATOM     17  H   LIG    1       -0.308   3.813   1.357  0.00  0.00    +0.292 HD
ENDBRANCH  15  16
BRANCH   1  18
ATOM     18  C   LIG    1       -1.446   0.894  -0.764  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.273   0.381   0.354  0.00  0.00    -0.291 NA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.702   0.570   0.049  0.00  0.00    +0.111 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -5.162   2.253   1.226  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.154   1.965   0.392  0.00  0.00    -0.019 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
BRANCH  19  23
ATOM     23  C   LIG    1       -1.973  -1.035   0.612  0.00  0.00    +0.111 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.530  -1.492   1.933  0.00  0.00    -0.019 C 
ATOM     25  C   LIG    1       -3.296  -2.578   2.103  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7