REMARK  Name = BDB056165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.493  -1.223   0.010  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        0.657  -0.240  -0.698  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.818  -0.371  -0.251  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -1.428  -1.696  -0.522  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.399  -2.758  -0.531  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.846  -2.502   0.352  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.659  -0.695   0.489  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        4.981  -1.646   1.246  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.599  -1.811   1.083  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.861  -1.055   0.155  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        3.582  -0.119  -0.607  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        4.964   0.056  -0.456  0.00  0.00    +0.015 A 
BRANCH   7  15
ATOM     13  N   LIG    1        7.681   0.694   0.802  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1        8.673   0.602   0.986  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        7.121  -0.555   0.657  0.00  0.00    +0.244 C 
ATOM     16  O   LIG    1        7.833  -1.554   0.674  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     17  C   LIG    1        7.872   3.088   1.288  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        7.024   1.837   1.415  0.00  0.00    +0.101 C 
ENDBRANCH  13  18
ENDBRANCH   7  15
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  C   LIG    1       -2.503  -1.996   0.435  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.684  -1.054   0.317  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -4.384  -0.943  -0.896  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -5.472  -0.076  -1.003  0.00  0.00    +0.076 A 
ATOM     23  N   LIG    1       -6.163   0.007  -2.209  0.00  0.00    -0.280 N 
ATOM     24  H   LIG    1       -5.927  -0.592  -2.989  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1       -7.213   0.864  -2.379  0.00  0.00    +0.258 C 
ATOM     26  C   LIG    1       -7.482   1.823  -1.209  0.00  0.00    +0.256 C 
ATOM     27  O   LIG    1       -6.953   1.528   0.080  0.00  0.00    -0.478 OA
ATOM     28  C   LIG    1       -7.012   3.222  -1.599  0.00  0.00    +0.062 C 
ATOM     29  O   LIG    1       -7.848   0.891  -3.431  0.00  0.00    -0.271 OA
ATOM     30  C   LIG    1       -5.880   0.681   0.094  0.00  0.00    +0.143 A 
ATOM     31  C   LIG    1       -5.200   0.567   1.305  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1       -4.104  -0.293   1.417  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5