REMARK  Name = BDB000144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.196  -0.417   1.184  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1        0.204  -0.029   1.327  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.038  -0.060   0.231  0.00  0.00    +0.237 C 
ATOM      4  O   LIG    1        0.631  -0.482  -0.859  0.00  0.00    -0.274 OA
ATOM      5  C   LIG    1        0.601   0.015   2.724  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -0.467  -0.803   3.436  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -1.721  -0.528   2.618  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1       -3.122   0.135  -0.226  0.00  0.00    -0.314 N 
ATOM      9  H   LIG    1       -3.061  -0.839  -0.493  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -2.007   0.647   0.419  0.00  0.00    +0.234 C 
ATOM     11  O   LIG    1       -1.740   1.847   0.446  0.00  0.00    -0.274 OA
BRANCH   8  12
ATOM     12  C   LIG    1       -3.926   1.000  -1.068  0.00  0.00    +0.107 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -5.178  -0.856  -2.277  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -5.297   0.408  -1.426  0.00  0.00    -0.000 C 
ATOM     15  C   LIG    1       -6.143   0.141  -0.180  0.00  0.00    +0.009 C 
ENDBRANCH  12  14
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   3  16
ATOM     16  C   LIG    1        2.474   0.507   0.380  0.00  0.00    +0.162 C 
BRANCH  16  17
ATOM     17  N   LIG    1        3.334  -0.273  -0.507  0.00  0.00    -0.302 N 
ATOM     18  H   LIG    1        3.117  -0.248  -1.504  0.00  0.00    +0.150 HD
ATOM     19  C   LIG    1        3.795  -1.514  -0.115  0.00  0.00    +0.230 C 
ATOM     20  O   LIG    1        3.768  -1.919   1.044  0.00  0.00    -0.274 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.377  -2.340  -1.277  0.00  0.00    +0.135 C 
ATOM     22  C   LIG    1        5.839  -1.977  -1.493  0.00  0.00    +0.033 C 
BRANCH  21  23
ATOM     23  N   LIG    1        3.607  -2.064  -2.515  0.00  0.00    -0.320 NA
ATOM     24  H   LIG    1        2.635  -2.345  -2.359  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1        3.956  -2.669  -3.258  0.00  0.00    +0.119 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  16  17
BRANCH  16  26
ATOM     26  C   LIG    1        2.571   2.014   0.045  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1        1.965   2.887   1.144  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1        1.960   2.390  -1.310  0.00  0.00    +0.009 C 
ENDBRANCH  16  26
ENDBRANCH   3  16
TORSDOF 8