REMARK  Name = BDB056937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.647  -0.323  -0.773  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.620   0.608  -0.926  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.289   0.183  -0.953  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        0.010  -1.181  -0.839  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -1.032  -2.115  -0.755  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.360  -1.685  -0.731  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.405  -1.688  -0.884  0.00  0.00    +0.200 C 
ATOM      8  O   LIG    1        1.639  -2.765  -1.428  0.00  0.00    -0.286 OA
BRANCH   7   9
ATOM      9  C   LIG    1        2.501  -0.871  -0.297  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        2.361  -0.165   0.995  0.00  0.00    +0.348 A 
ATOM     11  O   LIG    1        1.345  -0.237   1.676  0.00  0.00    -0.244 OA
ATOM     12  O   LIG    1        3.447   0.598   1.415  0.00  0.00    -0.422 OA
ATOM     13  C   LIG    1        4.651   0.631   0.689  0.00  0.00    +0.139 A 
ATOM     14  C   LIG    1        4.785  -0.083  -0.497  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        6.000  -0.030  -1.183  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        7.056   0.734  -0.676  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.903   1.446   0.516  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        5.693   1.397   1.206  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        3.653  -0.852  -0.985  0.00  0.00    +0.030 A 
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  O   LIG    1       -3.940   0.111  -0.801  0.00  0.00    -0.475 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -3.786   1.253   1.409  0.00  0.00    +0.067 C 
ATOM     22  C   LIG    1       -4.584   0.329   0.478  0.00  0.00    +0.200 C 
ATOM     23  C   LIG    1       -4.931  -0.999   1.161  0.00  0.00    +0.067 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -5.901   1.046   0.124  0.00  0.00    +0.348 C 
ATOM     25  O   LIG    1       -6.286   1.402  -0.979  0.00  0.00    -0.247 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -6.688   1.297   1.196  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1       -7.466   1.748   0.805  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 6