REMARK  Name = BDB025341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.797  -0.644  -0.662  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -1.489  -0.301  -0.244  0.00  0.00    -0.182 N 
ATOM      3  C   LIG    1       -0.308  -0.298  -1.002  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        0.703   0.083  -0.150  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        2.156   0.278  -0.383  0.00  0.00    +0.151 C 
ATOM      6  N   LIG    1        2.846   0.599   0.876  0.00  0.00    -0.263 N 
ATOM      7  C   LIG    1        2.124   1.391   1.885  0.00  0.00    +0.117 C 
ATOM      8  C   LIG    1        0.791   0.750   2.298  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        4.230   0.555   0.944  0.00  0.00    +0.404 C 
ATOM     10  O   LIG    1        4.876   0.986   1.891  0.00  0.00    -0.226 OA
ATOM     11  C   LIG    1        0.063   0.312   1.082  0.00  0.00    +0.072 A 
ATOM     12  N   LIG    1       -1.251   0.095   1.046  0.00  0.00    -0.167 NA
ATOM     13  O   LIG    1       -2.950  -0.980  -1.839  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  20
ATOM     14  C   LIG    1       -7.892   1.534  -2.272  0.00  0.00    +0.063 C 
ATOM     15  C   LIG    1       -6.961   0.875  -1.326  0.00  0.00    +0.014 A 
ATOM     16  N   LIG    1       -7.359   0.483  -0.072  0.00  0.00    -0.358 N 
ATOM     17  H   LIG    1       -8.288   0.604   0.307  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1       -6.314  -0.104   0.605  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -5.205  -0.089  -0.245  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -3.986  -0.632   0.226  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -3.937  -1.189   1.516  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -5.064  -1.188   2.336  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -6.273  -0.643   1.896  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -5.632   0.531  -1.457  0.00  0.00    +0.031 A 
ENDBRANCH   1  20
BRANCH   3  25
ATOM     25  N   LIG    1       -0.269  -0.615  -2.317  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1        0.591  -0.878  -2.788  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -1.113  -0.996  -2.760  0.00  0.00    +0.144 HD
ENDBRANCH   3  25
BRANCH   9  28
ATOM     28  O   LIG    1        4.779  -0.015  -0.160  0.00  0.00    -0.445 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.216  -0.166  -0.292  0.00  0.00    +0.107 C 
ATOM     30  C   LIG    1        6.783  -1.085   0.796  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        6.409  -0.847  -1.656  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        6.920   1.195  -0.321  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 4