REMARK  Name = BDB027539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.215   0.065  -1.357  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.294   0.676  -0.531  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.021   1.051  -1.035  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.524   2.101  -0.038  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.838   1.715   1.270  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.527   1.229   0.798  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.996  -0.218  -2.530  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.091  -0.833   0.217  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -3.960  -1.518   0.685  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.689  -1.230   0.179  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -2.546  -0.243  -0.797  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.663   0.429  -1.290  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -4.932   0.139  -0.776  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.567  -0.628   0.507  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1       -6.335  -1.185   0.784  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1       -6.306  -1.925   1.471  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -7.810   0.289  -0.265  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1       -9.925  -0.861   1.177  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -8.657  -1.278   1.293  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1        2.964   2.287   0.064  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        3.363   2.899  -0.642  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.818   1.207   0.143  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1        5.007   1.385  -0.447  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1        5.892   0.380  -0.408  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        5.612  -0.836   0.218  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        6.557  -1.879   0.245  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        7.798  -1.702  -0.362  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        8.090  -0.490  -0.991  0.00  0.00    +0.054 A 
ATOM     29  C   LIG    1        4.356  -0.917   0.793  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        7.135   0.535  -1.007  0.00  0.00    +0.047 A 
ATOM     31  N   LIG    1        3.455   0.082   0.765  0.00  0.00    -0.222 NA
BRANCH  28  32
ATOM     32  C   LIG    1        9.364  -0.294  -1.619  0.00  0.00    +0.099 C 
ATOM     33  N   LIG    1       10.397  -0.141  -2.124  0.00  0.00    -0.191 NA
ENDBRANCH  28  32
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 6