REMARK  Name = BDB051917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.085  -0.809   0.057  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        2.014   0.237   0.175  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        3.401   0.004   0.142  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1        3.846  -1.315  -0.019  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        2.932  -2.369  -0.143  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1        1.554  -2.113  -0.104  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        4.356   1.115   0.272  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1        5.336   1.343  -0.707  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        6.232   2.400  -0.574  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1        7.156   2.602  -1.522  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        6.184   3.249   0.524  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        5.222   3.039   1.508  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        4.316   1.980   1.381  0.00  0.00    +0.009 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  C   LIG    1       -1.376  -1.302   0.097  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1       -0.280  -0.455   0.093  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1       -0.478   0.530   0.197  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -1.323  -2.524   0.141  0.00  0.00    -0.270 OA
BRANCH  14  26
ATOM     18  C   LIG    1       -3.986   3.243  -1.208  0.00  0.00    +0.113 C 
ATOM     19  C   LIG    1       -4.892   2.205  -0.616  0.00  0.00    +0.229 C 
ATOM     20  N   LIG    1       -4.269   0.987  -0.250  0.00  0.00    -0.287 N 
ATOM     21  C   LIG    1       -4.901  -0.132   0.301  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -3.931  -1.124   0.496  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.332  -2.368   1.037  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -5.669  -2.593   1.370  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.615  -1.599   1.173  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.668  -0.600   0.078  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -6.250  -0.360   0.638  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -2.918   0.684  -0.376  0.00  0.00    +0.108 A 
ATOM     29  O   LIG    1       -6.093   2.373  -0.445  0.00  0.00    -0.273 OA
ENDBRANCH  14  26
ENDBRANCH   1  15
BRANCH   5  30
ATOM     30  C   LIG    1        3.382  -3.772  -0.320  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        2.666  -4.747  -0.445  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        4.722  -3.891  -0.335  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        4.866  -4.854  -0.454  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH   5  30
TORSDOF 5