REMARK  Name = BDB064749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.336  -0.629  -0.727  0.00  0.00    +0.024 A 
ATOM      2  C   LIG    1       -2.445  -1.514  -1.814  0.00  0.00    +0.125 A 
ATOM      3  C   LIG    1       -1.320  -2.131  -2.363  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.055  -1.869  -1.833  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        0.095  -0.984  -0.761  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -1.048  -0.384  -0.211  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.915   0.504   1.808  0.00  0.00    +0.127 A 
ATOM      8  C   LIG    1       -3.805  -0.139   1.241  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -3.506   0.033  -0.121  0.00  0.00    -0.012 A 
ATOM     10  C   LIG    1       -4.345   0.864  -0.885  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -5.451   1.504  -0.317  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -5.740   1.327   1.034  0.00  0.00    +0.033 A 
BRANCH   7  14
ATOM     13  O   LIG    1       -4.394  -0.322   3.913  0.00  0.00    -0.126 OA
ATOM     14  N   LIG    1       -5.211   0.315   3.233  0.00  0.00    +0.056 N 
ATOM     15  O   LIG    1       -6.259   0.808   3.675  0.00  0.00    -0.126 OA
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   2  16
ATOM     16  O   LIG    1       -3.681  -1.792  -2.334  0.00  0.00    -0.506 OA
ATOM     17  H   LIG    1       -3.589  -2.463  -3.030  0.00  0.00    +0.292 HD
ENDBRANCH   2  16
BRANCH   5  18
ATOM     18  C   LIG    1        1.405  -0.705  -0.156  0.00  0.00    +0.008 C 
ATOM     19  C   LIG    1        2.529  -0.524  -0.868  0.00  0.00    +0.009 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.844  -0.249  -0.270  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        4.001   0.601   0.834  0.00  0.00    +0.053 A 
ATOM     22  C   LIG    1        5.276   0.850   1.343  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        6.404   0.277   0.768  0.00  0.00    +0.090 A 
ATOM     24  C   LIG    1        6.247  -0.552  -0.336  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        4.983  -0.813  -0.860  0.00  0.00    +0.053 A 
BRANCH  22  26
ATOM     26  O   LIG    1        5.463   1.669   2.418  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1        4.598   1.999   2.714  0.00  0.00    +0.292 HD
ENDBRANCH  22  26
BRANCH  24  28
ATOM     28  O   LIG    1        7.319  -1.135  -0.945  0.00  0.00    -0.507 OA
ATOM     29  H   LIG    1        8.125  -0.868  -0.471  0.00  0.00    +0.292 HD
ENDBRANCH  24  28
ENDBRANCH  19  20
ENDBRANCH   5  18
TORSDOF 7