REMARK  Name = BDB007566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.482   0.493  -2.211  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        1.444  -0.003  -1.456  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        1.585  -0.335  -0.509  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        2.342   0.866  -3.371  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  O   LIG    1        9.144   0.322   1.699  0.00  0.00    -0.272 OA
ATOM      6  C   LIG    1        8.011   0.230   1.232  0.00  0.00    +0.255 C 
ATOM      7  N   LIG    1        7.628   0.964   0.147  0.00  0.00    -0.280 N 
ATOM      8  H   LIG    1        8.316   1.591  -0.247  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        6.356   0.845  -0.407  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1        5.451  -0.091   0.099  0.00  0.00    +0.143 A 
ATOM     11  C   LIG    1        4.186  -0.227  -0.477  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1        3.816   0.589  -1.553  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        4.735   1.519  -2.061  0.00  0.00    +0.015 A 
ATOM     14  O   LIG    1        5.736  -0.946   1.127  0.00  0.00    -0.481 OA
ATOM     15  C   LIG    1        6.003   1.648  -1.490  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        6.925  -0.653   1.845  0.00  0.00    +0.325 C 
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1        0.130  -0.231  -2.031  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.927  -0.426  -0.932  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.490  -1.501  -0.081  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -0.581  -2.328  -0.586  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.309  -0.725  -1.563  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.494  -0.736  -0.689  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -3.841   0.606  -0.192  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.051   0.614   0.721  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -5.477  -0.561   1.365  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -6.579  -0.522   2.229  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.240   0.681   2.473  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.810   1.851   1.851  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.787  -1.870   1.074  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.719   1.820   0.982  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -3.405  -1.678   0.432  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 6