REMARK  Name = BDB049075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.260  -1.200   3.327  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        1.490  -0.675   2.148  0.00  0.00    -0.038 A 
ATOM      3  C   LIG    1        1.964   0.383   1.355  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.199   0.883   0.297  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.018   0.282  -0.025  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.484  -0.823   0.703  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.273  -1.280   1.796  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        3.261   1.037   1.632  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        4.432   0.347   1.316  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        4.489  -0.802   0.410  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        4.432  -0.436  -1.086  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1        5.268   0.654  -1.609  0.00  0.00    -0.304 NA
ATOM     13  C   LIG    1        4.478   1.825  -1.988  0.00  0.00    +0.104 C 
ATOM     14  C   LIG    1        6.465   0.990  -0.836  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1        6.269   1.796   0.456  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        5.707   0.981   1.614  0.00  0.00    +0.109 C 
ATOM     17  O   LIG    1        3.237   2.154   2.144  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   6  18
ATOM     18  C   LIG    1       -1.802  -1.504   0.362  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1       -1.928  -1.982  -1.119  0.00  0.00    +0.079 C 
ATOM     20  C   LIG    1       -3.378  -1.579  -1.465  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1       -3.546  -0.310  -0.755  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -3.007  -0.564   0.584  0.00  0.00    +0.094 C 
BRANCH  19  23
ATOM     23  N   LIG    1       -1.638  -3.425  -1.344  0.00  0.00    -0.304 NA
ATOM     24  C   LIG    1       -0.256  -3.758  -0.976  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1       -1.862  -3.792  -2.749  0.00  0.00    +0.104 C 
ENDBRANCH  19  23
BRANCH  21  26
ATOM     26  C   LIG    1       -4.934   0.159  -0.765  0.00  0.00    +0.122 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.082   1.576  -0.246  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.641   2.634  -1.060  0.00  0.00    +0.128 A 
ATOM     29  F   LIG    1       -4.137   2.379  -2.278  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -4.720   3.963  -0.650  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -5.248   4.266   0.598  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -5.699   3.235   1.426  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -5.632   1.887   1.018  0.00  0.00    -0.043 A 
ATOM     34  C   LIG    1       -6.155   0.828   1.950  0.00  0.00    +0.044 C 
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH   6  18
TORSDOF 5