REMARK  Name = BDB028195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.158   0.836  -0.549  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.379   1.104   0.088  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.585   0.971  -0.611  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.565   0.557  -1.941  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.837   0.388  -2.661  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.978   0.650  -1.943  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.866   0.535  -2.422  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.034   1.073  -0.651  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.865   0.029  -3.833  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.352   0.295  -2.587  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.915   1.242  -0.007  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.150   0.440  -1.892  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  21
ATOM     13  C   LIG    1        3.405  -3.464   0.039  0.00  0.00    +0.105 C 
ATOM     14  N   LIG    1        3.170  -2.153   0.643  0.00  0.00    -0.298 NA
ATOM     15  C   LIG    1        2.188  -1.393  -0.153  0.00  0.00    +0.139 C 
ATOM     16  C   LIG    1        2.049   0.008   0.333  0.00  0.00    +0.061 A 
ATOM     17  N   LIG    1        3.024   0.578   1.104  0.00  0.00    -0.265 N 
ATOM     18  N   LIG    1        2.772   1.849   1.464  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1        1.580   2.090   0.913  0.00  0.00    +0.143 A 
ATOM     20  C   LIG    1        4.213  -0.107   1.567  0.00  0.00    +0.159 C 
ATOM     21  C   LIG    1        1.082   0.985   0.182  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        4.430  -1.400   0.777  0.00  0.00    +0.107 C 
ENDBRANCH   1  21
BRANCH  11  23
ATOM     23  C   LIG    1       -4.010   1.735   1.434  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.833   0.600   2.341  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -4.569  -0.082   2.148  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -3.997   0.913   3.298  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  11  23
TORSDOF 3