REMARK  Name = BDB046573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.875   1.284  -0.542  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -0.604   1.235   0.831  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1        0.363   0.360   1.330  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        1.080  -0.470   0.460  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.804  -0.434  -0.912  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.167   0.441  -1.409  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.099  -1.389   1.039  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        3.145  -1.739   0.211  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        3.281  -1.229  -0.653  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.997  -1.770   2.199  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.262  -2.512   0.701  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.378  -1.609   1.177  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1        6.281  -0.986   0.283  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        7.291  -0.153   0.800  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        7.397   0.079   2.171  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.494  -0.514   3.047  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.490  -1.348   2.554  0.00  0.00    +0.006 A 
BRANCH  13  18
ATOM     18  C   LIG    1        6.184  -1.197  -1.210  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1        6.431  -2.485  -1.576  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        4.944  -0.903  -1.703  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.052  -0.434  -1.933  0.00  0.00    -0.166 F 
ENDBRANCH  13  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1       -1.947   2.208  -1.077  0.00  0.00    +0.049 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.273   1.486  -1.383  0.00  0.00    +0.102 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.855   1.001  -0.067  0.00  0.00    +0.311 C 
ATOM     25  O   LIG    1       -4.300   1.735   0.805  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -3.783  -0.357   0.008  0.00  0.00    -0.465 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.210  -0.939   1.248  0.00  0.00    +0.229 C 
ATOM     28  C   LIG    1       -5.707  -1.185   1.226  0.00  0.00    +0.048 C 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -4.251   2.442  -2.094  0.00  0.00    +0.015 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -6.362   0.977  -2.069  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -5.353   1.747  -2.903  0.00  0.00    -0.003 C 
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 11