REMARK  Name = BDB027872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.560  -0.069  -0.980  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.924   0.161  -2.316  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.297   0.195  -2.564  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.671   0.409  -3.883  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.829   0.593  -4.935  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.514   0.572  -4.656  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.218   0.036  -1.603  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.772  -0.148  -0.351  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.017   0.362  -3.384  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        1.475  -0.209  -0.008  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.773  -0.304   0.721  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        5.149  -0.323   0.446  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        6.052  -0.474   1.487  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.691  -0.607   2.779  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.369  -0.585   3.040  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.393  -0.440   2.065  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.812  -0.137  -0.644  0.00  0.00    -0.327 N 
ATOM     18  H   LIG    1       -1.241  -0.857  -1.218  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.092  -0.348   0.787  0.00  0.00    +0.124 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.636  -0.318   1.134  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -2.734  -0.879   2.579  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1       -3.393  -1.291   0.200  0.00  0.00    +0.029 C 
BRANCH  20  24
ATOM     23  C   LIG    1       -4.694   1.094   1.274  0.00  0.00    +0.105 C 
ATOM     24  N   LIG    1       -3.234   1.056   1.161  0.00  0.00    -0.302 NA
ATOM     25  C   LIG    1       -2.813   1.930   0.065  0.00  0.00    +0.105 C 
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5