REMARK  Name = BDB042643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.348   1.003  -1.523  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1       -1.357   1.708  -0.903  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.723   1.649   0.506  0.00  0.00    +0.094 C 
ATOM      4  C   LIG    1       -2.578   0.368   0.758  0.00  0.00    +0.127 C 
ATOM      5  N   LIG    1       -3.763   0.309  -0.151  0.00  0.00    -0.326 N 
ATOM      6  C   LIG    1       -3.509   0.752  -1.556  0.00  0.00    +0.127 C 
ATOM      7  C   LIG    1       -2.585   2.909   0.661  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1       -3.182   3.143  -0.740  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1       -2.599   2.012  -1.599  0.00  0.00    +0.094 C 
ATOM     10  O   LIG    1       -0.377   0.752  -2.727  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.652  -0.753   0.063  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -5.196  -1.518  -0.983  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -6.097  -2.567  -0.747  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -6.493  -2.872   0.553  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -5.989  -2.119   1.610  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.088  -1.074   1.362  0.00  0.00    +0.024 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -7.416  -3.941   0.798  0.00  0.00    +0.099 C 
ATOM     18  N   LIG    1       -8.164  -4.806   0.998  0.00  0.00    -0.191 NA
ENDBRANCH  14  17
ENDBRANCH   5  11
BRANCH   1  19
ATOM     19  C   LIG    1        0.807   0.581  -0.636  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.929  -0.071  -1.445  0.00  0.00    +0.062 C 
BRANCH  20  28
ATOM     21  C   LIG    1        6.884   1.686  -0.510  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        6.603   0.478   0.341  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1        5.368  -0.204   0.304  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1        5.182  -1.331   1.131  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        3.886  -2.054   1.095  0.00  0.00    +0.257 A 
ATOM     26  N   LIG    1        2.932  -1.558   0.237  0.00  0.00    -0.326 N 
ATOM     27  H   LIG    1        2.067  -2.085   0.214  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1        3.095  -0.457  -0.568  0.00  0.00    +0.020 A 
ATOM     29  O   LIG    1        3.673  -3.038   1.794  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1        6.192  -1.783   1.983  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1        7.397  -1.103   2.009  0.00  0.00    +0.124 A 
ATOM     32  F   LIG    1        8.376  -1.524   2.821  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        4.257   0.215  -0.567  0.00  0.00    +0.030 A 
ATOM     34  C   LIG    1        7.611   0.012   1.204  0.00  0.00    +0.042 A 
ENDBRANCH  20  28
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 5