REMARK  Name = BDB056158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.196  -0.661   1.006  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -1.772   0.284   2.049  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.326  -0.044   2.482  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.677   0.084   1.396  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.070  -0.167   0.067  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.168  -1.094   0.047  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.248  -0.495  -0.147  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -5.332   0.361  -0.769  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -3.967   0.359  -0.407  0.00  0.00    -0.029 A 
ATOM     10  C   LIG    1       -3.053   1.316  -1.122  0.00  0.00    +0.045 C 
ATOM     11  C   LIG    1       -3.513  -0.546   0.574  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -4.450  -1.402   1.181  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -5.799  -1.386   0.825  0.00  0.00    +0.015 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.629   0.813  -1.221  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -8.216   0.688  -0.966  0.00  0.00    -0.314 N 
ATOM     16  H   LIG    1       -7.691   1.536  -0.805  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.693  -0.506  -0.509  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -8.359  -1.524  -0.362  0.00  0.00    -0.270 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.828  -0.789   1.670  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.043  -0.455   0.827  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1        3.713  -1.463   0.113  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1        4.842  -1.166  -0.661  0.00  0.00    +0.164 A 
ATOM     23  C   LIG    1        5.317   0.156  -0.705  0.00  0.00    +0.184 A 
ATOM     24  O   LIG    1        6.403   0.411  -1.504  0.00  0.00    -0.474 OA
ATOM     25  C   LIG    1        7.048   1.662  -1.293  0.00  0.00    +0.256 C 
ATOM     26  C   LIG    1        6.226   2.831  -0.738  0.00  0.00    +0.258 C 
ATOM     27  N   LIG    1        5.100   2.480  -0.050  0.00  0.00    -0.279 N 
ATOM     28  H   LIG    1        4.576   3.227   0.385  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1        6.573   4.006  -0.833  0.00  0.00    -0.271 OA
ATOM     30  C   LIG    1        8.258   1.430  -0.392  0.00  0.00    +0.062 C 
ATOM     31  C   LIG    1        4.657   1.159   0.011  0.00  0.00    +0.080 A 
ATOM     32  C   LIG    1        3.530   0.859   0.773  0.00  0.00    +0.032 A 
BRANCH  22  33
ATOM     33  O   LIG    1        5.549  -2.084  -1.395  0.00  0.00    -0.491 OA
ATOM     34  C   LIG    1        5.080  -3.424  -1.406  0.00  0.00    +0.277 C 
ENDBRANCH  22  33
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5