REMARK  Name = BDB002278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.543  -2.096  -0.872  0.00  0.00    +0.020 C 
ATOM      2  C   LIG    1        2.882  -1.118  -0.244  0.00  0.00    +0.039 C 
ATOM      3  C   LIG    1        1.524  -0.542  -0.544  0.00  0.00    +0.096 C 
ATOM      4  C   LIG    1        1.881   0.902  -0.155  0.00  0.00    +0.187 C 
ATOM      5  C   LIG    1        0.848   2.026   0.044  0.00  0.00    +0.049 C 
ATOM      6  C   LIG    1       -0.568   1.680   0.559  0.00  0.00    -0.004 C 
ATOM      7  C   LIG    1       -1.165   0.629  -0.371  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1       -1.002  -0.824   0.143  0.00  0.00    +0.061 C 
ATOM      9  C   LIG    1       -1.774  -1.115   1.456  0.00  0.00    +0.022 C 
ATOM     10  C   LIG    1       -1.781  -1.540  -0.962  0.00  0.00    +0.173 C 
ATOM     11  O   LIG    1       -1.510  -2.607  -1.487  0.00  0.00    -0.294 OA
ATOM     12  C   LIG    1       -2.962  -0.703  -1.310  0.00  0.00    +0.214 C 
ATOM     13  O   LIG    1       -2.780   0.385  -2.219  0.00  0.00    -0.360 OA
ATOM     14  C   LIG    1       -2.602   0.695  -0.835  0.00  0.00    +0.160 C 
ATOM     15  C   LIG    1       -1.394   2.967   0.637  0.00  0.00    +0.008 C 
ATOM     16  O   LIG    1        2.675   0.765   1.036  0.00  0.00    -0.457 OA
ATOM     17  C   LIG    1        0.466  -1.242   0.343  0.00  0.00    +0.139 C 
ATOM     18  C   LIG    1        3.452  -0.352   0.894  0.00  0.00    +0.335 C 
ATOM     19  O   LIG    1        4.408  -0.651   1.580  0.00  0.00    -0.245 OA
ENDROOT
BRANCH  17  20
ATOM     20  O   LIG    1        0.574  -2.668   0.251  0.00  0.00    -0.390 OA
ATOM     21  H   LIG    1        0.151  -2.974  -0.579  0.00  0.00    +0.210 HD
ENDBRANCH  17  20
TORSDOF 1