REMARK  Name = BDB042518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.592  -0.066  -0.051  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1       -2.655  -1.074  -0.575  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -1.414  -0.407  -1.200  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -0.732   0.527  -0.297  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.533   1.054  -0.514  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        1.051   1.845   0.273  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.502   0.970   0.869  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -3.001   1.143   0.561  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -7.233   0.337   0.652  0.00  0.00    +0.054 A 
ATOM     10  C   LIG    1       -5.879   0.622   0.404  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1       -4.922  -0.394   0.209  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1       -5.408  -1.718   0.266  0.00  0.00    +0.144 A 
ATOM     13  F   LIG    1       -4.578  -2.761   0.112  0.00  0.00    -0.204 F 
ATOM     14  C   LIG    1       -6.751  -2.015   0.514  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -7.667  -0.987   0.709  0.00  0.00    +0.022 A 
BRANCH   9  17
ATOM     16  N   LIG    1       -8.921   2.277   0.995  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1       -8.166   1.409   0.840  0.00  0.00    +0.099 C 
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   5  18
ATOM     18  C   LIG    1        1.250   0.598  -1.776  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.602   1.287  -1.997  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.797   0.782  -1.210  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1        5.020   1.239  -1.656  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        5.066   1.878  -2.442  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        6.247   0.920  -1.112  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1        7.279   1.377  -1.588  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        6.228   0.007   0.053  0.00  0.00    +0.082 A 
ATOM     26  C   LIG    1        4.989  -0.463   0.514  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1        4.947  -1.325   1.619  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        6.128  -1.714   2.255  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        7.356  -1.245   1.789  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        7.402  -0.387   0.692  0.00  0.00    +0.136 A 
ATOM     31  F   LIG    1        8.604   0.039   0.280  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        3.752  -0.052  -0.158  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5