REMARK  Name = BDB028288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.445   0.269   0.503  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        1.583  -0.246  -0.145  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.786   0.474  -0.163  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.848   1.714   0.467  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.106   2.478   0.435  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        5.148   1.895  -0.241  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        6.029   2.398  -0.266  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        5.126   0.681  -0.855  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        4.201   3.572   0.978  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.727   2.240   1.119  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        4.024  -0.011  -0.828  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.533   1.518   1.137  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  19
ATOM     13  C   LIG    1       -1.844   0.963  -1.287  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -1.916  -0.186  -0.309  0.00  0.00    -0.036 A 
ATOM     15  C   LIG    1       -3.112  -0.937  -0.192  0.00  0.00    -0.023 A 
ATOM     16  C   LIG    1       -3.086  -2.004   0.713  0.00  0.00    +0.115 A 
ATOM     17  N   LIG    1       -2.042  -2.345   1.500  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1       -0.943  -1.573   1.393  0.00  0.00    +0.119 A 
ATOM     19  C   LIG    1       -0.811  -0.491   0.521  0.00  0.00    +0.003 A 
BRANCH  15  20
ATOM     20  C   LIG    1       -4.356  -0.656  -1.011  0.00  0.00    +0.021 C 
ATOM     21  C   LIG    1       -5.720  -0.629  -0.355  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -5.100   0.648  -0.830  0.00  0.00    +0.009 C 
ENDBRANCH  15  20
ENDBRANCH   1  19
BRANCH  11  23
ATOM     23  C   LIG    1        4.035  -1.375  -1.518  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.207  -2.437  -0.526  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1        4.321  -3.330  -1.004  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1        3.386  -2.524   0.066  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  11  23
TORSDOF 4