REMARK  Name = BDB008438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.176  -3.643  -0.967  0.00  0.00    +0.011 C 
ATOM      2  C   LIG    1       -2.679  -2.327  -0.341  0.00  0.00    -0.024 C 
ATOM      3  C   LIG    1       -1.435  -1.835  -1.137  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1       -1.140  -0.407  -0.810  0.00  0.00    +0.029 A 
ATOM      5  N   LIG    1        0.061   0.240  -0.978  0.00  0.00    -0.342 N 
ATOM      6  C   LIG    1       -0.062   1.548  -0.539  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -1.380   1.714  -0.096  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -1.795   2.943   0.419  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -0.864   3.998   0.471  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.445   3.825   0.026  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.165   3.154   0.913  0.00  0.00    +0.272 A 
ATOM     12  O   LIG    1       -3.452   4.271   1.360  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -4.157   2.198   0.920  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -5.018   2.576   1.307  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -4.296   0.906   0.522  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -3.399   0.134   0.001  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        0.869   2.597  -0.485  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -2.041   0.496  -0.284  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -3.826  -1.280  -0.401  0.00  0.00    +0.064 C 
ATOM     20  C   LIG    1       -2.300  -2.610   1.128  0.00  0.00    +0.011 C 
ENDROOT
BRANCH   5  21
ATOM     21  C   LIG    1        1.257  -0.344  -1.571  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.172  -1.037  -0.547  0.00  0.00    +0.106 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.082  -0.121   0.152  0.00  0.00    -0.301 NA
ATOM     24  C   LIG    1        3.706  -0.747   1.320  0.00  0.00    +0.084 C 
ATOM     25  C   LIG    1        4.839   0.209   1.661  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1        5.156   0.933   0.358  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1        4.205   0.335  -0.669  0.00  0.00    +0.084 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 3