REMARK  Name = BDB050824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.733   2.012   0.343  0.00  0.00    +0.093 C 
ATOM      2  C   LIG    1       -0.766   2.379   0.430  0.00  0.00    +0.165 C 
ATOM      3  C   LIG    1       -0.767   3.887   0.470  0.00  0.00    +0.024 C 
ATOM      4  I   LIG    1       -2.413   4.969   0.969  0.00  0.00    -0.046 I 
ATOM      5  C   LIG    1        0.404   4.451   0.166  0.00  0.00    +0.059 C 
ATOM      6  C   LIG    1        1.336   3.341  -0.045  0.00  0.00    +0.163 C 
ATOM      7  O   LIG    1        2.484   3.531  -0.417  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        1.071   0.880  -0.632  0.00  0.00    +0.014 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.501   0.328  -0.520  0.00  0.00    +0.001 C 
BRANCH   9  10
ATOM     10  C   LIG    1        2.759  -0.427   0.787  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.184  -0.982   0.895  0.00  0.00    -0.000 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.487  -2.081  -0.127  0.00  0.00    -0.000 C 
BRANCH  12  14
ATOM     13  C   LIG    1        7.030  -1.877  -0.036  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        5.822  -2.787   0.127  0.00  0.00    -0.003 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   2  15
ATOM     15  O   LIG    1       -1.467   1.947  -0.738  0.00  0.00    -0.371 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -2.730   1.331  -0.476  0.00  0.00    +0.160 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.547  -0.143  -0.119  0.00  0.00    +0.028 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.854  -0.851   0.241  0.00  0.00    +0.003 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.829  -0.964  -0.937  0.00  0.00    +0.011 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -6.087  -1.756  -0.579  0.00  0.00    +0.120 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -7.023  -0.991   0.319  0.00  0.00    +0.305 C 
ATOM     22  O   LIG    1       -6.930   0.172   0.672  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -8.063  -1.748   0.721  0.00  0.00    -0.481 OA
ATOM     24  H   LIG    1       -8.598  -1.145   1.278  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 14