REMARK  Name = BDB028180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.425   0.382   0.451  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -2.630  -0.073  -0.109  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.861   0.301   0.449  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.886   1.128   1.569  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -5.181   1.517   2.148  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -6.296   1.020   1.521  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -7.200   1.278   1.906  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -6.309   0.212   0.426  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -5.247   2.243   3.134  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.694   1.585   2.138  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -5.169  -0.141  -0.098  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.470   1.212   1.580  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  N   LIG    1        1.940   0.022  -0.799  0.00  0.00    -0.271 N 
ATOM     14  N   LIG    1        1.491  -1.169  -1.232  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        0.219  -1.190  -0.826  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1       -0.156  -0.014  -0.135  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.991   0.753  -0.142  0.00  0.00    +0.116 A 
BRANCH  13  18
ATOM     18  C   LIG    1        3.314   0.416  -1.062  0.00  0.00    +0.144 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.280  -0.173  -0.035  0.00  0.00    +0.026 C 
BRANCH  19  21
ATOM     20  C   LIG    1        6.590  -0.187   0.953  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1        5.724   0.337  -0.195  0.00  0.00    -0.015 C 
ATOM     22  C   LIG    1        6.340  -0.070  -1.534  0.00  0.00    +0.007 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH   1  16
BRANCH  11  23
ATOM     23  C   LIG    1       -5.173  -1.051  -1.331  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -6.543  -1.397  -1.728  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -7.055  -0.521  -1.862  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -7.006  -1.807  -0.912  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  11  23
TORSDOF 6