REMARK  Name = BDB018785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.439  -1.488   1.183  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1       -3.419  -0.628   0.506  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1       -2.673  -1.527  -0.505  0.00  0.00    +0.205 C 
ATOM      4  C   LIG    1       -3.222  -1.267  -1.925  0.00  0.00    +0.263 C 
ATOM      5  O   LIG    1       -4.179  -1.853  -2.421  0.00  0.00    -0.271 OA
ATOM      6  N   LIG    1       -2.603  -0.241  -2.593  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1       -2.990   0.034  -3.488  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -1.401   0.293  -2.127  0.00  0.00    +0.096 A 
ATOM      9  C   LIG    1       -0.759  -0.263  -1.018  0.00  0.00    +0.238 A 
ATOM     10  N   LIG    1        0.416   0.178  -0.533  0.00  0.00    -0.207 NA
ATOM     11  C   LIG    1        0.979   1.232  -1.190  0.00  0.00    +0.130 A 
ATOM     12  C   LIG    1        0.413   1.846  -2.304  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -0.801   1.361  -2.784  0.00  0.00    +0.031 A 
ATOM     14  O   LIG    1       -1.259  -1.360  -0.364  0.00  0.00    -0.457 OA
ATOM     15  C   LIG    1       -3.018  -2.940  -0.031  0.00  0.00    +0.079 C 
ATOM     16  C   LIG    1       -4.422  -2.821   0.535  0.00  0.00    +0.121 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.289   1.723  -0.644  0.00  0.00    +0.267 C 
ATOM     18  N   LIG    1        2.717   0.997   0.451  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        2.090   0.242   0.722  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        2.848   2.673  -1.176  0.00  0.00    -0.268 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.885   1.173   1.211  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        4.090   0.293   2.282  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        5.227   0.403   3.087  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.170   1.394   2.827  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.974   2.272   1.764  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.836   2.163   0.959  0.00  0.00    +0.023 A 
ENDBRANCH  18  21
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  N   LIG    1       -6.390  -0.573   2.443  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1       -5.486  -1.003   1.863  0.00  0.00    +0.169 C 
ENDBRANCH   1  28
TORSDOF 3