REMARK  Name = BDB061157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.171  -1.070   2.646  0.00  0.00    +0.058 C 
ATOM      2  C   LIG    1        0.133  -1.349   2.511  0.00  0.00    +0.176 C 
ATOM      3  C   LIG    1        0.917  -2.072   3.548  0.00  0.00    +0.231 C 
ATOM      4  O   LIG    1        0.550  -2.520   4.612  0.00  0.00    -0.283 OA
ATOM      5  C   LIG    1        2.255  -2.118   2.972  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        2.196  -1.477   1.739  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1        3.314  -1.348   0.938  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1        4.515  -1.891   1.408  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        4.560  -2.535   2.667  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        3.421  -2.658   3.467  0.00  0.00    +0.019 A 
ATOM     11  O   LIG    1        0.941  -1.004   1.433  0.00  0.00    -0.451 OA
ENDROOT
BRANCH   1  18
ATOM     12  C   LIG    1       -2.628  -0.282  -2.077  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1       -2.759   0.050  -0.619  0.00  0.00    -0.008 A 
ATOM     14  C   LIG    1       -3.689   0.985  -0.137  0.00  0.00    +0.128 A 
ATOM     15  C   LIG    1       -3.708   1.332   1.224  0.00  0.00    -0.008 A 
ATOM     16  C   LIG    1       -4.598   2.410   1.771  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1       -2.879   0.631   2.117  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -1.990  -0.349   1.665  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1       -1.940  -0.633   0.297  0.00  0.00    +0.015 A 
BRANCH  14  20
ATOM     20  O   LIG    1       -4.517   1.627  -1.021  0.00  0.00    -0.475 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -5.827   1.051  -1.175  0.00  0.00    +0.200 C 
ATOM     22  C   LIG    1       -5.971   0.637  -2.652  0.00  0.00    +0.067 C 
ATOM     23  C   LIG    1       -6.832   2.199  -0.953  0.00  0.00    +0.067 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -6.262  -0.136  -0.273  0.00  0.00    +0.348 C 
ATOM     25  O   LIG    1       -6.945  -0.071   0.739  0.00  0.00    -0.247 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -5.796  -1.337  -0.680  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1       -6.086  -1.951   0.026  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  14  20
ENDBRANCH   1  18
BRANCH   8  28
ATOM     28  O   LIG    1        5.721  -1.853   0.762  0.00  0.00    -0.492 OA
BRANCH  28  29
ATOM     29  C   LIG    1        5.771  -1.361  -0.579  0.00  0.00    +0.229 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.017   0.149  -0.586  0.00  0.00    +0.044 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.982   0.772  -1.991  0.00  0.00    -0.014 C 
ATOM     32  C   LIG    1        7.083   0.223  -2.901  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        6.107   2.293  -1.889  0.00  0.00    +0.007 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 9