REMARK  Name = BDB058423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.374   1.394  -3.235  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1        2.405  -2.351  -1.301  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1        2.117  -0.884  -1.427  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1        2.860   0.063  -0.713  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1        2.599   1.427  -0.848  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.555   1.859  -1.665  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.778   0.931  -2.372  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        1.065  -0.438  -2.241  0.00  0.00    +0.012 A 
BRANCH   4   9
ATOM      9  O   LIG    1        3.894  -0.362   0.080  0.00  0.00    -0.487 OA
BRANCH   9  10
ATOM     10  C   LIG    1        3.589  -0.217   1.475  0.00  0.00    +0.264 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.347   0.940   2.086  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1        5.710   1.131   1.807  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        6.409   2.193   2.382  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        5.748   3.059   3.244  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1        6.418   4.080   3.796  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        4.403   2.883   3.543  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        3.702   1.822   2.968  0.00  0.00    +0.010 A 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   4   9
ENDBRANCH   1   7
BRANCH   1  18
ATOM     18  N   LIG    1       -1.620   1.379  -2.469  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1       -1.459   1.743  -1.533  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.364   0.188  -2.435  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -2.923  -0.236  -1.216  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -3.696  -1.396  -1.133  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -3.934  -2.131  -2.296  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.421  -1.709  -3.521  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -2.649  -0.550  -3.588  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  O   LIG    1       -4.276  -1.928  -0.019  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.194  -1.308   1.265  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -2.794  -1.509   1.867  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1       -5.184  -2.097   2.146  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -4.640   0.164   1.353  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -4.043   1.072   1.913  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -5.812   0.413   0.729  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -5.944   1.379   0.820  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 10