REMARK  Name = BDB061332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.415   0.882  -1.996  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        3.724   1.417  -3.421  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1        3.641   0.284  -2.436  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1        2.454   0.033  -1.723  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1        2.405  -1.040  -0.830  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        3.530  -1.848  -0.631  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        4.724  -1.587  -1.306  0.00  0.00    +0.087 A 
ATOM      8  C   LIG    1        4.762  -0.536  -2.226  0.00  0.00    +0.036 A 
BRANCH   7   9
ATOM      9  N   LIG    1        5.843  -2.424  -1.129  0.00  0.00    -0.149 NA
ATOM     10  N   LIG    1        6.702  -2.168  -0.245  0.00  0.00    -0.149 NA
BRANCH  10  11
ATOM     11  C   LIG    1        6.560  -1.040   0.587  0.00  0.00    +0.086 A 
ATOM     12  C   LIG    1        5.921  -1.150   1.827  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        5.812  -0.043   2.671  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        6.360   1.180   2.287  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.024   1.295   1.067  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        7.132   0.186   0.226  0.00  0.00    +0.029 A 
ENDBRANCH  10  11
ENDBRANCH   7   9
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1        0.218   0.790  -1.222  0.00  0.00    +0.233 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.765  -0.189  -1.864  0.00  0.00    +0.076 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.047  -0.294  -1.081  0.00  0.00    -0.044 A 
ATOM     20  C   LIG    1       -3.103   0.593  -1.318  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -4.289   0.513  -0.577  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.436  -0.448   0.417  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -3.381  -1.336   0.650  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -2.195  -1.262  -0.085  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -5.515  -0.662   1.216  0.00  0.00    -0.475 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -6.646   0.215   1.320  0.00  0.00    +0.200 C 
ATOM     27  C   LIG    1       -6.295   1.657   1.703  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1       -7.549   0.123   0.084  0.00  0.00    +0.067 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -7.438  -0.360   2.512  0.00  0.00    +0.348 C 
ATOM     30  O   LIG    1       -8.632  -0.623   2.543  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.695  -0.544   3.627  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1       -7.325  -0.929   4.271  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10