REMARK  Name = BDB017048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.624   3.540  -1.337  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.089   2.624  -0.480  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        0.423   1.314  -0.759  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        1.091   0.885   0.385  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        1.180   1.914   1.308  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.567   2.934   0.759  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.089   0.639  -2.014  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -1.235   0.300  -2.345  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1       -1.537  -0.302  -3.566  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1       -0.505  -0.603  -4.445  0.00  0.00    +0.127 A 
ATOM     11  F   LIG    1       -0.786  -1.191  -5.615  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        0.816  -0.300  -4.133  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        1.113   0.324  -2.919  0.00  0.00    +0.016 A 
BRANCH   8  14
ATOM     14  O   LIG    1       -2.275   0.617  -1.508  0.00  0.00    -0.491 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.520  -0.464  -0.598  0.00  0.00    +0.232 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.464   0.028   0.456  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -2.944   0.769   1.661  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -3.499  -0.621   1.817  0.00  0.00    +0.007 C 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1        1.631  -0.447   0.656  0.00  0.00    +0.092 A 
ATOM     20  N   LIG    1        1.312  -1.451  -0.200  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1        1.800  -2.682   0.057  0.00  0.00    +0.112 A 
ATOM     22  C   LIG    1        2.600  -2.975   1.142  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        2.917  -1.938   2.016  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        2.427  -0.654   1.776  0.00  0.00    +0.045 A 
BRANCH  23  25
ATOM     25  C   LIG    1        3.773  -2.247   3.183  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1        4.225  -3.343   3.458  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        4.024  -1.172   3.948  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        4.589  -1.514   4.671  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH   4  19
TORSDOF 7