REMARK  Name = BDB063855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.694   0.431  -2.046  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        1.447   0.817  -1.751  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.496   1.272  -2.802  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        0.678   1.393  -3.996  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -0.622   1.541  -2.083  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -1.442   1.966  -2.473  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -0.366   1.321  -0.776  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.835   0.898  -0.518  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1        7.952  -1.399   1.728  0.00  0.00    +0.173 C 
ATOM     10  N   LIG    1        6.516  -1.453   1.593  0.00  0.00    -0.267 N 
ATOM     11  C   LIG    1        5.768  -0.894   0.585  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        4.449  -1.215   0.892  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        3.415  -0.781   0.042  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1        3.725  -0.020  -1.097  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1        5.067   0.271  -1.383  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.533  -1.964   2.085  0.00  0.00    +0.143 A 
ATOM     17  C   LIG    1        6.112  -0.152  -0.550  0.00  0.00    +0.028 A 
ATOM     18  N   LIG    1        5.788  -2.116   2.515  0.00  0.00    -0.179 NA
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  N   LIG    1       -1.285   1.564   0.198  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -0.792   1.475   1.087  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.582   0.881   0.301  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1       -3.227   1.308   1.647  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1       -4.583   0.615   1.848  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -4.376  -0.909   1.841  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -3.761  -1.351   0.503  0.00  0.00    -0.008 C 
ATOM     26  C   LIG    1       -4.705  -0.948  -0.643  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -4.913   0.577  -0.645  0.00  0.00    -0.008 C 
ATOM     28  C   LIG    1       -5.522   1.008   0.697  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -2.401  -0.655   0.313  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -3.550   1.269  -0.838  0.00  0.00    +0.029 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3