REMARK  Name = BDB053806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.064  -0.642  -1.352  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.846  -0.539   0.020  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.445  -0.306   0.514  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -1.536  -0.182  -0.354  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1       -1.307  -0.265  -1.730  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.019  -0.496  -2.222  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.866   0.090   0.209  0.00  0.00    +0.008 C 
ATOM      8  C   LIG    1       -4.004  -0.427  -0.281  0.00  0.00    +0.008 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.335  -0.154   0.282  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -6.422  -0.013  -0.589  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -7.707   0.220  -0.092  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -7.919   0.303   1.282  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.848   0.148   2.160  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.563  -0.084   1.663  0.00  0.00    +0.008 A 
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  O   LIG    1        2.262  -0.859  -1.971  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        3.409  -1.147  -1.171  0.00  0.00    +0.229 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.132   0.143  -0.789  0.00  0.00    +0.041 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.386  -0.140   0.035  0.00  0.00    +0.014 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.114   1.152   0.402  0.00  0.00    +0.120 C 
BRANCH  19  21
ATOM     20  O   LIG    1        7.756  -0.201   1.609  0.00  0.00    -0.251 OA
ATOM     21  C   LIG    1        7.348   0.879   1.220  0.00  0.00    +0.305 C 
BRANCH  21  22
ATOM     22  O   LIG    1        8.014   2.012   1.516  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1        8.783   1.707   2.042  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 9