REMARK  Name = BDB008579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.143  -0.990   0.429  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1        1.950  -1.369   1.745  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.936  -1.817   2.756  0.00  0.00    +0.083 C 
ATOM      4  C   LIG    1        2.051  -1.756   4.001  0.00  0.00    +0.234 C 
ATOM      5  O   LIG    1        0.663  -1.839   3.602  0.00  0.00    -0.491 OA
ATOM      6  C   LIG    1        0.681  -1.436   2.292  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1       -0.448  -1.135   1.560  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -0.297  -0.742   0.218  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1        1.009  -0.671  -0.331  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -1.553  -0.397  -0.582  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -1.407  -0.484  -2.108  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -2.169   0.894  -0.178  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -3.551   1.108  -0.039  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -3.995   2.193   0.353  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -4.531  -0.055  -0.360  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -5.825   0.341  -0.831  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -6.665   0.923   0.176  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -6.477   0.311   1.574  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -5.970  -1.068   1.497  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -6.596  -1.580   0.870  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -4.643  -1.017   0.853  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -1.280   1.984   0.201  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -0.186   2.528  -0.683  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -1.403   3.354  -0.424  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   8  10
BRANCH   1  25
ATOM     25  O   LIG    1        3.437  -0.969  -0.001  0.00  0.00    -0.491 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.676  -0.542  -1.341  0.00  0.00    +0.231 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.181  -0.578  -1.581  0.00  0.00    +0.069 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.534  -0.105  -2.985  0.00  0.00    +0.163 C 
BRANCH  28  30
ATOM     29  C   LIG    1        7.744   0.726  -2.685  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        6.921  -0.277  -3.265  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9