REMARK  Name = BDB028419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.327  -2.536   0.575  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        1.037  -2.288   0.476  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1        1.642  -3.434   0.949  0.00  0.00    -0.266 N 
ATOM      4  C   LIG    1        3.058  -3.707   1.059  0.00  0.00    +0.173 C 
ATOM      5  N   LIG    1        0.770  -4.388   1.327  0.00  0.00    -0.179 NA
ATOM      6  C   LIG    1       -0.423  -3.841   1.100  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  16
ATOM      7  C   LIG    1       -4.337  -1.687  -2.217  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -3.353  -1.173  -1.200  0.00  0.00    -0.037 A 
ATOM      9  C   LIG    1       -3.412   0.133  -0.662  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1       -2.465   0.543   0.284  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -2.555   1.928   0.816  0.00  0.00    +0.083 A 
ATOM     12  N   LIG    1       -3.486   2.762   0.454  0.00  0.00    -0.174 NA
ATOM     13  N   LIG    1       -4.404   2.344  -0.450  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -5.117   3.016  -0.717  0.00  0.00    +0.192 HD
ATOM     15  C   LIG    1       -1.460  -0.339   0.704  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1       -1.379  -1.626   0.166  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -4.456   1.113  -1.057  0.00  0.00    +0.273 A 
ATOM     18  O   LIG    1       -5.330   0.861  -1.878  0.00  0.00    -0.266 OA
ATOM     19  C   LIG    1       -2.328  -2.038  -0.774  0.00  0.00    +0.012 A 
BRANCH  11  20
ATOM     20  C   LIG    1       -1.503   2.399   1.829  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.711   3.807   2.189  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1       -1.732   4.347   1.321  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -2.670   3.895   2.536  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  11  20
ENDBRANCH   1  16
BRANCH   2  24
ATOM     24  C   LIG    1        1.762  -1.130  -0.059  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        2.360  -0.155   0.767  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1        3.029   0.968   0.202  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.083   1.083  -1.210  0.00  0.00    -0.017 A 
ATOM     28  C   LIG    1        3.733   2.177  -1.803  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        4.331   3.165  -1.024  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.287   3.073   0.360  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        2.484   0.105  -2.014  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1        3.646   1.990   0.966  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1        1.829  -0.986  -1.448  0.00  0.00    +0.012 A 
BRANCH  25  34
ATOM     34  C   LIG    1        2.270  -0.289   2.196  0.00  0.00    +0.100 C 
ATOM     35  N   LIG    1        2.197  -0.392   3.350  0.00  0.00    -0.191 NA
ENDBRANCH  25  34
ENDBRANCH   2  24
TORSDOF 5