REMARK  Name = BDB062545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.355   0.236   0.633  0.00  0.00    +0.035 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.482   0.061  -0.355  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        3.794   0.414  -0.008  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        4.836   0.238  -0.918  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        4.572  -0.217  -2.207  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        3.273  -0.576  -2.562  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        2.235  -0.448  -1.638  0.00  0.00    +0.004 A 
BRANCH   4   8
ATOM      8  O   LIG    1        6.097   0.641  -0.588  0.00  0.00    -0.475 OA
BRANCH   8   9
ATOM      9  C   LIG    1        6.968  -0.349   0.013  0.00  0.00    +0.200 C 
ATOM     10  C   LIG    1        7.244  -1.526  -0.934  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        6.442  -0.829   1.373  0.00  0.00    +0.067 C 
BRANCH   9  12
ATOM     12  C   LIG    1        8.304   0.395   0.251  0.00  0.00    +0.351 C 
ATOM     13  O   LIG    1        8.529   1.566  -0.030  0.00  0.00    -0.246 OA
BRANCH  12  14
ATOM     14  O   LIG    1        9.228  -0.438   0.824  0.00  0.00    -0.462 OA
BRANCH  14  15
ATOM     15  C   LIG    1       10.515   0.139   1.090  0.00  0.00    +0.229 C 
ATOM     16  C   LIG    1       11.399   0.034  -0.140  0.00  0.00    +0.048 C 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.006   1.700   0.927  0.00  0.00    +0.005 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.469   2.500  -0.266  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.800   1.948  -0.925  0.00  0.00    +0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.993   1.856   0.030  0.00  0.00    +0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.256   1.402  -0.709  0.00  0.00    +0.004 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.500   1.357   0.183  0.00  0.00    +0.027 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -4.956  -0.890   1.297  0.00  0.00    -0.031 C 
ATOM     24  C   LIG    1       -4.407   0.335   1.282  0.00  0.00    -0.031 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -5.740  -1.549   0.197  0.00  0.00    +0.027 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -7.206  -1.796   0.570  0.00  0.00    +0.004 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -8.015  -0.502   0.701  0.00  0.00    +0.000 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -9.472  -0.735   1.117  0.00  0.00    -0.000 C 
BRANCH  28  30
ATOM     29  C   LIG    1      -10.409  -0.998  -1.244  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1      -10.313  -1.581   0.158  0.00  0.00    -0.003 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 18