REMARK  Name = BDB018671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.328   0.666   0.629  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -1.647  -0.557   0.636  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.253  -0.578   0.688  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1        0.420  -1.803   0.713  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -0.100  -2.660   0.861  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        1.784  -1.933   0.659  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1        2.560  -0.696   0.229  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1        4.055  -0.843   0.524  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1        4.727   0.037  -0.476  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        3.800   0.254  -1.618  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1        1.975   0.552   0.910  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1        2.568  -0.587  -1.303  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1        2.308  -3.026   0.860  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.478   0.612   0.753  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -0.201   1.834   0.763  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -1.596   1.859   0.693  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -4.404  -0.893  -1.427  0.00  0.00    +0.068 C 
ATOM     18  C   LIG    1       -4.693   0.027  -0.299  0.00  0.00    +0.067 A 
ATOM     19  C   LIG    1       -3.776   0.694   0.560  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -4.574   1.433   1.407  0.00  0.00    +0.113 A 
ATOM     21  N   LIG    1       -5.860   1.175   1.039  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1       -6.715   1.541   1.446  0.00  0.00    +0.188 HD
ATOM     23  N   LIG    1       -5.963   0.324   0.008  0.00  0.00    -0.179 NA
ENDBRANCH   1  19
BRANCH   9  24
ATOM     24  C   LIG    1        6.050   0.233  -0.536  0.00  0.00    +0.169 C 
ATOM     25  N   LIG    1        7.193   0.405  -0.589  0.00  0.00    -0.174 NA
ENDBRANCH   9  24
TORSDOF 2