REMARK  Name = BDB049425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.166  -0.021  -0.278  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        3.333  -1.090  -0.625  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        1.974  -0.917  -0.460  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        0.869  -1.829  -0.729  0.00  0.00    +0.232 C 
ATOM      5  C   LIG    1       -0.324  -1.031  -0.336  0.00  0.00    +0.176 C 
ATOM      6  O   LIG    1        0.052   0.229   0.118  0.00  0.00    -0.451 OA
ATOM      7  C   LIG    1       -1.576  -1.495  -0.441  0.00  0.00    +0.058 C 
ATOM      8  O   LIG    1        0.923  -2.957  -1.166  0.00  0.00    -0.283 OA
ATOM      9  C   LIG    1        1.424   0.262   0.030  0.00  0.00    +0.140 A 
ATOM     10  C   LIG    1        2.225   1.327   0.377  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.611   1.179   0.220  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.791  -0.750  -0.087  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1       -2.894  -0.011   1.100  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1       -4.081   0.657   1.406  0.00  0.00    +0.159 A 
ATOM     15  C   LIG    1       -5.173   0.585   0.543  0.00  0.00    +0.158 A 
ATOM     16  C   LIG    1       -5.089  -0.160  -0.630  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -3.902  -0.830  -0.939  0.00  0.00    +0.012 A 
BRANCH  14  18
ATOM     18  O   LIG    1       -4.186   1.385   2.559  0.00  0.00    -0.503 OA
ATOM     19  H   LIG    1       -3.352   1.325   3.049  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
BRANCH  15  20
ATOM     20  O   LIG    1       -6.325   1.247   0.861  0.00  0.00    -0.503 OA
ATOM     21  H   LIG    1       -6.983   1.092   0.166  0.00  0.00    +0.292 HD
ENDBRANCH  15  20
ENDBRANCH   7  12
BRANCH   1  23
ATOM     22  C   LIG    1        6.402   0.786  -0.140  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.499  -0.263  -0.467  0.00  0.00    -0.495 OA
ENDBRANCH   1  23
TORSDOF 4