REMARK  Name = BDB045124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.557  -0.901  -2.909  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        0.774  -0.242  -1.901  0.00  0.00    +0.190 C 
ATOM      3  C   LIG    1       -0.027  -0.328  -0.648  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.307   0.475   0.457  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1       -0.462   0.379   1.632  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -1.545  -0.497   1.713  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -1.875  -1.291   0.621  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        1.462   1.411   0.374  0.00  0.00    +0.190 C 
ATOM      9  O   LIG    1        1.825   2.146   1.283  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1        2.223   1.460  -0.887  0.00  0.00    +0.055 C 
ATOM     11  C   LIG    1       -1.122  -1.208  -0.551  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1        1.907   0.700  -1.932  0.00  0.00    +0.055 C 
ENDROOT
BRANCH   5  13
ATOM     13  O   LIG    1       -0.171   1.141   2.728  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1       -0.789   0.961   3.453  0.00  0.00    +0.292 HD
ENDBRANCH   5  13
BRANCH  11  15
ATOM     15  O   LIG    1       -1.480  -2.005  -1.601  0.00  0.00    -0.506 OA
ATOM     16  H   LIG    1       -2.251  -2.551  -1.378  0.00  0.00    +0.292 HD
ENDBRANCH  11  15
TORSDOF 2