REMARK  Name = BDB045765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.981  -0.028   1.113  0.00  0.00    +0.117 A 
ATOM      2  C   LIG    1       -2.099  -0.535   0.546  0.00  0.00    +0.067 A 
ATOM      3  C   LIG    1       -3.337   0.296   0.555  0.00  0.00    +0.200 A 
ATOM      4  O   LIG    1       -4.403  -0.098   0.093  0.00  0.00    -0.286 OA
ATOM      5  C   LIG    1       -3.234   1.633   1.153  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -2.020   2.030   1.696  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1       -1.895   3.294   2.271  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1       -2.993   4.149   2.295  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1       -4.216   3.761   1.754  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.338   2.495   1.179  0.00  0.00    +0.019 A 
ATOM     11  O   LIG    1       -0.911   1.229   1.701  0.00  0.00    -0.459 OA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -2.138  -1.873  -0.069  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1       -1.584  -2.090  -1.339  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -1.607  -3.364  -1.908  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -2.190  -4.418  -1.213  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -2.752  -4.221   0.044  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -2.726  -2.946   0.616  0.00  0.00    +0.012 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -2.193  -5.645  -1.808  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -2.675  -6.264  -1.236  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   2  12
BRANCH   8  20
ATOM     20  O   LIG    1       -2.829   5.375   2.867  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1       -3.667   5.864   2.812  0.00  0.00    +0.292 HD
ENDBRANCH   8  20
BRANCH   1  22
ATOM     22  C   LIG    1        0.339  -0.763   1.223  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.380  -0.206   0.246  0.00  0.00    +0.008 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.705  -0.964   0.360  0.00  0.00    +0.000 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.747  -0.524  -0.673  0.00  0.00    +0.000 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.212   0.923  -0.486  0.00  0.00    -0.000 C 
BRANCH  26  28
ATOM     27  C   LIG    1        5.081   1.267  -2.861  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1        5.402   1.293  -1.374  0.00  0.00    -0.003 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 9