REMARK  Name = BDB056504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.645  -0.345  -0.266  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1        1.372  -1.262  -0.598  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.636   0.597  -0.141  0.00  0.00    +0.219 C 
ATOM      4  O   LIG    1        0.762   1.760   0.221  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        5.797   0.017   0.443  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        5.239  -1.179  -0.017  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        3.860  -1.266  -0.244  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        3.021  -0.168  -0.012  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        3.583   1.020   0.460  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        4.962   1.111   0.692  0.00  0.00    +0.015 A 
BRANCH   5  14
ATOM     11  N   LIG    1        8.100  -0.673   0.030  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        9.085  -0.457   0.123  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        7.814  -1.154  -0.810  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        7.253   0.162   0.705  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        7.689   1.015   1.467  0.00  0.00    -0.270 OA
ENDBRANCH   5  14
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1       -0.722   0.007  -0.469  0.00  0.00    +0.118 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.779   1.097  -0.618  0.00  0.00    +0.136 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.114   0.534  -0.840  0.00  0.00    -0.293 N 
ATOM     19  C   LIG    1       -3.979   0.230   0.254  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1       -5.245  -0.313   0.000  0.00  0.00    +0.063 A 
ATOM     21  C   LIG    1       -6.130  -0.628   1.041  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -5.754  -0.404   2.361  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.498   0.129   2.636  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.649  -0.568  -1.391  0.00  0.00    +0.262 A 
ATOM     25  O   LIG    1       -6.737  -1.056  -1.672  0.00  0.00    -0.267 OA
ATOM     26  N   LIG    1       -4.731  -0.244  -2.350  0.00  0.00    -0.274 N 
ATOM     27  H   LIG    1       -4.984  -0.444  -3.306  0.00  0.00    +0.173 HD
ATOM     28  C   LIG    1       -3.617   0.442   1.593  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1       -3.474   0.248  -2.150  0.00  0.00    +0.330 A 
ATOM     30  O   LIG    1       -2.724   0.401  -3.113  0.00  0.00    -0.246 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 5