REMARK  Name = BDB022045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.661  -1.848  -1.498  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        2.219  -3.306  -1.696  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        0.805  -3.560  -1.175  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -0.137  -2.507  -1.538  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -1.443  -2.631  -1.063  0.00  0.00    +0.252 C 
ATOM      6  O   LIG    1       -1.831  -3.615  -0.441  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        0.325  -1.516  -2.503  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        1.609  -0.849  -2.022  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -2.353  -1.536  -1.320  0.00  0.00    +0.099 A 
ATOM     10  C   LIG    1       -2.387  -0.264  -0.765  0.00  0.00    +0.153 A 
ATOM     11  N   LIG    1       -3.495   0.372  -1.312  0.00  0.00    -0.215 N 
ATOM     12  N   LIG    1       -3.964  -0.329  -2.385  0.00  0.00    -0.172 NA
ATOM     13  C   LIG    1       -3.371  -1.518  -2.289  0.00  0.00    +0.150 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -4.243   1.502  -0.864  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -5.082   2.167  -1.772  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -5.840   3.266  -1.359  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.782   3.695  -0.035  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.978   3.019   0.880  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.217   1.919   0.473  0.00  0.00    +0.028 A 
ENDBRANCH  11  14
BRANCH  10  20
ATOM     20  N   LIG    1       -1.468   0.302   0.120  0.00  0.00    -0.307 N 
ATOM     21  C   LIG    1       -0.687  -0.368   1.042  0.00  0.00    +0.092 A 
ATOM     22  C   LIG    1        0.128   0.529   1.698  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -0.130   1.800   1.151  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -1.096   1.634   0.183  0.00  0.00    +0.092 A 
ENDBRANCH  10  20
ENDBRANCH   5   9
BRANCH   1  26
ATOM     25  O   LIG    1        2.887  -2.412   0.843  0.00  0.00    -0.275 OA
ATOM     26  C   LIG    1        3.031  -1.567  -0.033  0.00  0.00    +0.220 C 
ATOM     27  N   LIG    1        3.564  -0.299   0.144  0.00  0.00    -0.285 N 
ATOM     28  H   LIG    1        3.633   0.285  -0.679  0.00  0.00    +0.155 HD
BRANCH  27  29
ATOM     29  C   LIG    1        3.995   0.291   1.351  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1        3.978  -0.352   2.588  0.00  0.00    +0.061 A 
ATOM     31  C   LIG    1        4.417   0.322   3.725  0.00  0.00    +0.125 A 
ATOM     32  F   LIG    1        4.395  -0.302   4.910  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        4.878   1.631   3.657  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1        4.902   2.281   2.428  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        4.463   1.613   1.281  0.00  0.00    +0.023 A 
ENDBRANCH  27  29
ENDBRANCH   1  26
TORSDOF 5