REMARK  Name = BDB001251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.223  -2.233   0.971  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1       -0.123  -1.149  -0.133  0.00  0.00    +0.015 C 
ATOM      3  C   LIG    1       -0.253  -1.900  -1.484  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.277  -0.117  -0.098  0.00  0.00    -0.037 A 
ATOM      5  C   LIG    1       -2.393  -0.246   0.749  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -3.420   0.705   0.745  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.343   1.797  -0.110  0.00  0.00    +0.117 A 
ATOM      8  C   LIG    1       -2.259   1.953  -0.960  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.236   1.003  -0.956  0.00  0.00    +0.008 A 
BRANCH   7  10
ATOM     10  O   LIG    1       -4.322   2.744  -0.144  0.00  0.00    -0.507 OA
ATOM     11  H   LIG    1       -5.011   2.500   0.494  0.00  0.00    +0.292 HD
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  12
ATOM     12  C   LIG    1        1.248  -0.456   0.063  0.00  0.00    -0.037 A 
ATOM     13  C   LIG    1        1.450   0.387   1.178  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        2.673   1.027   1.397  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        3.716   0.827   0.503  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1        3.553   0.000  -0.599  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        2.328  -0.638  -0.818  0.00  0.00    +0.008 A 
BRANCH  15  18
ATOM     18  O   LIG    1        4.926   1.430   0.674  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1        4.883   1.984   1.470  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   2  12
TORSDOF 4