REMARK  Name = BDB021942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.726   0.686   1.014  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        0.124  -0.172   0.308  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.425   0.272   0.212  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.542   1.275   0.288  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.292  -1.213  -0.194  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1       -6.001  -2.392  -1.160  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -5.641  -2.001   0.250  0.00  0.00    +0.212 C 
ATOM      8  N   LIG    1       -4.414  -1.383   0.448  0.00  0.00    -0.302 N 
ATOM      9  C   LIG    1       -3.462  -1.048  -0.614  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.808   0.308  -0.365  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -2.179   0.421   1.039  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1       -2.534  -0.758   1.953  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -4.011  -1.107   1.823  0.00  0.00    +0.109 C 
ATOM     14  O   LIG    1       -6.424  -2.222   1.175  0.00  0.00    -0.276 OA
ENDBRANCH   1  11
BRANCH   3  15
ATOM     15  C   LIG    1        2.538  -0.430  -0.292  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        3.705   0.305  -0.533  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        4.872  -0.311  -1.020  0.00  0.00    -0.046 A 
ATOM     18  C   LIG    1        6.098   0.525  -1.269  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        4.867  -1.696  -1.266  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1        6.085  -2.408  -1.787  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        3.699  -2.428  -1.011  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        2.547  -1.802  -0.526  0.00  0.00    +0.023 A 
ENDBRANCH   3  15
BRANCH   1  23
ATOM     23  C   LIG    1       -0.228   1.711   1.935  0.00  0.00    +0.183 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -0.089   3.000   1.208  0.00  0.00    +0.122 A 
ATOM     25  O   LIG    1        1.111   3.222   0.592  0.00  0.00    -0.466 OA
ATOM     26  C   LIG    1        1.026   4.434  -0.014  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1       -0.210   4.996   0.205  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -0.932   4.070   0.996  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 4