REMARK  Name = BDB032797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.364  -0.784  -2.707  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.199  -1.069  -1.617  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.236  -0.192  -1.356  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.255  -0.253  -0.302  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.015   0.903  -0.411  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.669   1.669  -1.600  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.389  -1.172   0.482  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.473   0.947  -2.121  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.656   1.248  -3.196  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.596   0.378  -3.482  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.268   1.132   0.300  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.410   0.298  -0.301  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.481   0.003  -1.494  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.446  -0.010   0.552  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.213  -0.526   0.145  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.625   0.412   1.845  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.677   0.198   2.440  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.509   1.229   2.454  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.171   0.904   1.808  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.794  -1.693  -3.034  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.016  -1.077  -2.609  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        3.630  -0.773  -1.143  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        3.875  -0.126  -1.878  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        2.485  -1.474  -1.397  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        1.948  -2.313  -0.692  0.00  0.00    -0.226 OA
BRANCH  22  33
ATOM     26  C   LIG    1        7.680   0.915   1.056  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        6.489  -0.003   1.087  0.00  0.00    -0.043 A 
ATOM     28  C   LIG    1        6.243  -0.850   2.183  0.00  0.00    -0.012 A 
ATOM     29  C   LIG    1        7.165  -0.895   3.369  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1        5.118  -1.682   2.148  0.00  0.00    +0.128 A 
ATOM     31  F   LIG    1        4.869  -2.509   3.175  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        4.235  -1.684   1.070  0.00  0.00    +0.062 A 
ATOM     33  C   LIG    1        4.464  -0.842  -0.014  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1        5.590  -0.006   0.004  0.00  0.00    +0.027 A 
ENDBRANCH  22  33
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5