REMARK  Name = BDB057577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.875  -0.193   0.826  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1       -3.674  -0.379   0.630  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1       -2.809   0.752   0.197  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -1.400   0.597   0.135  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -0.590   1.688  -0.242  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.888   1.577  -0.222  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1        1.518   0.316  -0.123  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.688  -0.956  -0.030  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        1.461  -1.940   0.881  0.00  0.00    +0.048 C 
ATOM     10  C   LIG    1        2.815  -2.300   0.291  0.00  0.00    +0.083 C 
ATOM     11  C   LIG    1        3.624  -1.077  -0.035  0.00  0.00    +0.167 C 
ATOM     12  O   LIG    1        4.840  -1.145  -0.214  0.00  0.00    -0.292 OA
ATOM     13  C   LIG    1        2.935   0.237  -0.141  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1        3.713   1.397  -0.234  0.00  0.00    +0.128 A 
ATOM     15  C   LIG    1        3.105   2.637  -0.288  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        1.714   2.722  -0.275  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -1.241   2.879  -0.634  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -2.628   3.020  -0.591  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -0.764  -0.739   0.514  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -1.751  -1.848   0.064  0.00  0.00    +0.132 C 
ATOM     21  C   LIG    1       -3.409   1.965  -0.159  0.00  0.00    +0.128 A 
ATOM     22  C   LIG    1       -3.048  -1.726   0.846  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   8  23
ATOM     23  O   LIG    1        0.640  -1.487  -1.359  0.00  0.00    -0.383 OA
ATOM     24  H   LIG    1        0.318  -2.406  -1.285  0.00  0.00    +0.211 HD
ENDBRANCH   8  23
BRANCH  14  25
ATOM     25  O   LIG    1        5.081   1.397  -0.259  0.00  0.00    -0.506 OA
ATOM     26  H   LIG    1        5.383   0.460  -0.291  0.00  0.00    +0.292 HD
ENDBRANCH  14  25
BRANCH  20  27
ATOM     27  O   LIG    1       -1.213  -3.154   0.247  0.00  0.00    -0.391 OA
ATOM     28  H   LIG    1       -1.904  -3.803   0.014  0.00  0.00    +0.210 HD
ENDBRANCH  20  27
BRANCH  21  29
ATOM     29  O   LIG    1       -4.758   2.187  -0.122  0.00  0.00    -0.506 OA
ATOM     30  H   LIG    1       -5.192   1.390   0.259  0.00  0.00    +0.292 HD
ENDBRANCH  21  29
TORSDOF 4