REMARK  Name = BDB045966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.221  -1.272   1.087  0.00  0.00    +0.229 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.426  -0.005   1.156  0.00  0.00    -0.492 OA
BRANCH   2   6
ATOM      3  C   LIG    1        4.588  -1.732  -0.961  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        3.751  -0.617  -0.406  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1        2.468  -0.879   0.101  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        1.688   0.145   0.648  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        2.205   1.452   0.703  0.00  0.00    -0.009 A 
ATOM      8  C   LIG    1        1.390   2.578   1.279  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1        3.492   1.709   0.209  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        4.260   0.681  -0.336  0.00  0.00    +0.004 A 
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1       -0.882  -1.517  -0.268  0.00  0.00    +0.042 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -1.647  -0.340  -0.898  0.00  0.00    +0.021 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.960   0.142  -0.231  0.00  0.00    +0.062 C 
ATOM     14  C   LIG    1       -2.718   0.963   1.046  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1       -3.685   1.081  -1.223  0.00  0.00    +0.022 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -3.879  -1.048   0.018  0.00  0.00    +0.310 C 
ATOM     17  O   LIG    1       -4.590  -1.597  -0.809  0.00  0.00    -0.250 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -3.821  -1.540   1.270  0.00  0.00    -0.480 OA
ATOM     19  H   LIG    1       -4.452  -2.291   1.254  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 7