REMARK  Name = BDB046953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.649   0.355   0.166  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1        2.192  -0.889   0.599  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.903  -1.322   0.263  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        0.056  -0.511  -0.500  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        0.521   0.729  -0.944  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        1.808   1.159  -0.607  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.282  -0.997  -0.845  0.00  0.00    +0.018 C 
ATOM      8  C   LIG    1       -2.418  -0.353  -0.544  0.00  0.00    +0.040 C 
ATOM      9  C   LIG    1       -3.742  -0.914  -0.895  0.00  0.00    +0.335 C 
ATOM     10  O   LIG    1       -3.957  -1.853  -1.638  0.00  0.00    -0.245 OA
ATOM     11  O   LIG    1       -4.686  -0.178  -0.247  0.00  0.00    -0.461 OA
ATOM     12  C   LIG    1       -4.052   0.696   0.690  0.00  0.00    +0.237 C 
ATOM     13  C   LIG    1       -2.645   0.914   0.189  0.00  0.00    +0.083 C 
ENDBRANCH   4   7
BRANCH   1  15
ATOM     14  C   LIG    1        4.782   0.105   1.185  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        3.878   0.896   0.423  0.00  0.00    -0.495 OA
ENDBRANCH   1  15
TORSDOF 2