REMARK  Name = BDB057612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.478   0.361  -0.780  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -2.200   0.609  -1.289  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -1.059   0.273  -0.547  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.279   0.547  -1.110  0.00  0.00    +0.195 C 
ATOM      5  C   LIG    1        1.478   0.192  -0.325  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        1.349  -0.394   0.930  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        0.012  -0.665   1.489  0.00  0.00    +0.198 C 
ATOM      8  O   LIG    1       -0.118  -1.181   2.596  0.00  0.00    -0.286 OA
ATOM      9  C   LIG    1        2.490  -0.726   1.665  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        3.755  -0.469   1.137  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        3.910   0.119  -0.124  0.00  0.00    -0.008 A 
ATOM     12  C   LIG    1        5.259   0.407  -0.717  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        2.754   0.447  -0.851  0.00  0.00    +0.019 A 
ATOM     14  O   LIG    1        0.396   1.062  -2.216  0.00  0.00    -0.287 OA
ATOM     15  C   LIG    1       -1.190  -0.313   0.709  0.00  0.00    +0.075 A 
ATOM     16  C   LIG    1       -2.473  -0.559   1.215  0.00  0.00    +0.132 A 
ATOM     17  C   LIG    1       -3.611  -0.226   0.478  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -5.826   0.505  -1.133  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -4.503   0.735  -1.603  0.00  0.00    -0.495 OA
ENDBRANCH   1  19
BRANCH  10  20
ATOM     20  O   LIG    1        4.813  -0.826   1.923  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1        5.646  -0.611   1.476  0.00  0.00    +0.292 HD
ENDBRANCH  10  20
BRANCH  16  22
ATOM     22  O   LIG    1       -2.694  -1.132   2.441  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1       -1.821  -1.318   2.857  0.00  0.00    +0.292 HD
ENDBRANCH  16  22
TORSDOF 3