REMARK  Name = BDB014456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.785   0.492   2.421  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.731   0.414   1.197  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.779  -0.347   0.543  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.976  -0.641  -0.409  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.080  -1.253   1.287  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.257  -1.751   0.442  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -0.758  -2.283  -0.798  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.531  -2.256  -1.400  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.280  -0.634   0.138  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.311  -1.085  -0.830  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -4.111   0.061  -1.317  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -5.143   0.582  -0.340  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.651  -0.240   0.682  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -6.634   0.255   1.550  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.126   1.550   1.391  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.638   2.360   0.368  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.098  -1.628   0.887  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -5.654   1.879  -0.495  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -4.235  -2.103  -0.292  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.674   1.163   0.252  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.905   1.458   0.913  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.874   1.775  -0.005  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1        5.656   0.792  -0.636  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1        6.610   1.211  -1.579  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        6.800   2.568  -1.857  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.039   3.530  -1.194  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.079   3.134  -0.265  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1        5.511  -0.638  -0.349  0.00  0.00    +0.096 A 
ATOM     29  N   LIG    1        5.690  -1.567  -1.306  0.00  0.00    -0.174 NA
ATOM     30  N   LIG    1        5.474  -2.737  -0.688  0.00  0.00    -0.284 N 
ATOM     31  H   LIG    1        5.556  -3.590  -1.232  0.00  0.00    +0.188 HD
ATOM     32  C   LIG    1        5.162  -2.610   0.630  0.00  0.00    +0.105 A 
ATOM     33  C   LIG    1        5.183  -1.261   0.887  0.00  0.00    +0.049 A 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9