REMARK  Name = BDB055059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.413  -1.049  -0.887  0.00  0.00    -0.006 C 
ATOM      2  C   LIG    1       -2.648  -0.021   0.093  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -3.755   0.719   0.229  0.00  0.00    +0.137 C 
ATOM      4  O   LIG    1       -1.547   0.103   0.927  0.00  0.00    -0.481 OA
ATOM      5  C   LIG    1       -0.533  -0.842   0.471  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1       -1.198  -1.554  -0.669  0.00  0.00    +0.027 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.440  -0.564  -3.125  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -3.382  -1.506  -1.930  0.00  0.00    +0.035 C 
ENDBRANCH   1   8
BRANCH   3   9
ATOM      9  C   LIG    1       -3.926   1.751   1.273  0.00  0.00    +0.335 C 
ATOM     10  O   LIG    1       -3.140   2.046   2.156  0.00  0.00    -0.246 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -5.145   2.322   1.072  0.00  0.00    -0.465 OA
ATOM     12  C   LIG    1       -5.458   3.350   2.012  0.00  0.00    +0.280 C 
ENDBRANCH   9  11
ENDBRANCH   3   9
BRANCH   5  13
ATOM     13  C   LIG    1       -0.184  -1.769   1.655  0.00  0.00    +0.049 C 
ATOM     14  C   LIG    1       -1.376  -2.489   2.282  0.00  0.00    +0.008 C 
ENDBRANCH   5  13
BRANCH   5  15
ATOM     15  C   LIG    1        0.673   0.024   0.022  0.00  0.00    +0.060 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.055  -0.650  -0.150  0.00  0.00    +0.015 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.076  -1.756  -1.221  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        3.450  -2.386  -1.432  0.00  0.00    +0.004 C 
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        3.061   0.434  -0.484  0.00  0.00    -0.025 C 
ATOM     20  C   LIG    1        4.075   0.797   0.320  0.00  0.00    -0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.100   1.862   0.036  0.00  0.00    +0.134 C 
ATOM     22  C   LIG    1        5.000   3.001   1.041  0.00  0.00    +0.042 C 
BRANCH  21  23
ATOM     23  O   LIG    1        4.930   2.381  -1.278  0.00  0.00    -0.388 OA
ATOM     24  H   LIG    1        5.616   3.056  -1.410  0.00  0.00    +0.210 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 10