REMARK  Name = BDB028341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.997   0.821  -0.474  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.823   0.139   0.431  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.563  -0.972   0.010  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.498  -1.375  -1.322  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.304  -2.523  -1.765  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.088  -3.118  -0.807  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        4.652  -3.911  -1.094  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.153  -2.769   0.507  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.273  -2.915  -2.926  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.684  -0.692  -2.234  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.429  -1.766   0.916  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.931   0.402  -1.808  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1       -1.178   2.015  -0.032  0.00  0.00    +0.077 A 
ATOM     14  N   LIG    1       -1.478   3.232   0.545  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -2.789   3.781   0.809  0.00  0.00    +0.173 C 
ATOM     16  N   LIG    1       -0.393   3.946   0.901  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        0.629   3.151   0.585  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1        0.209   1.945  -0.013  0.00  0.00    +0.027 A 
BRANCH  13  22
ATOM     19  C   LIG    1       -3.679  -2.386   0.305  0.00  0.00    +0.045 C 
ATOM     20  C   LIG    1       -3.398  -1.063  -0.358  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1       -2.424  -0.173   0.149  0.00  0.00    +0.064 A 
ATOM     22  C   LIG    1       -2.186   1.058  -0.501  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1       -2.920   1.380  -1.653  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -3.881   0.503  -2.152  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.119  -0.709  -1.508  0.00  0.00    +0.004 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -1.682  -0.528   1.331  0.00  0.00    +0.100 C 
ATOM     27  N   LIG    1       -1.092  -0.841   2.281  0.00  0.00    -0.191 NA
ENDBRANCH  21  26
ENDBRANCH  13  22
ENDBRANCH   1  18
BRANCH  11  28
ATOM     28  C   LIG    1        3.506  -1.410   2.399  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.411  -0.271   2.569  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1        4.528  -0.094   3.566  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1        5.336  -0.548   2.231  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5