REMARK  Name = BDB012821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.802  -0.197  -0.788  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.001   0.256   0.430  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.385   0.257  -0.025  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.394   0.635   0.849  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.129   0.979   2.000  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.522  -0.537  -1.241  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.165  -1.205  -1.427  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.809  -4.004  -0.228  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.599  -2.522  -0.155  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -2.376  -2.053  -0.487  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -2.169  -0.719  -0.434  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.171   0.173  -0.049  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -4.436  -0.308   0.301  0.00  0.00    -0.019 A 
ATOM     14  C   LIG    1       -4.642  -1.688   0.237  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.512   0.613   0.701  0.00  0.00    -0.044 C 
ATOM     16  C   LIG    1       -5.469   2.085   0.406  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1       -6.899   2.537   0.697  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -7.476   1.500   1.653  0.00  0.00    +0.028 C 
ATOM     19  C   LIG    1       -6.618   0.304   1.396  0.00  0.00    -0.023 C 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        3.751   0.611   0.366  0.00  0.00    +0.121 A 
ATOM     21  N   LIG    1        4.170   0.972  -0.882  0.00  0.00    -0.272 N 
ATOM     22  H   LIG    1        3.606   1.321  -1.648  0.00  0.00    +0.189 HD
ATOM     23  N   LIG    1        5.493   0.856  -1.077  0.00  0.00    -0.178 NA
ATOM     24  C   LIG    1        5.963   0.478   0.118  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1        4.915   0.330   1.056  0.00  0.00    +0.057 A 
BRANCH  24  26
ATOM     26  C   LIG    1        7.432   0.266   0.349  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        7.987  -0.861  -0.525  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        8.232   1.554   0.140  0.00  0.00    +0.014 C 
ENDBRANCH  24  26
ENDBRANCH   4  20
TORSDOF 4