REMARK  Name = BDB051806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.331  -0.548  -0.409  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.312   0.701  -1.017  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.707   1.071  -1.806  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.353   1.599  -0.806  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.436   1.236   0.001  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.501  -0.041   0.583  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.428  -0.926   0.377  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.441  -2.596  -1.140  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.752  -1.522  -0.631  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.049  -1.205  -0.220  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        3.085  -2.212  -0.398  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        4.440  -1.601  -0.753  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        4.714  -0.232  -0.087  0.00  0.00    +0.060 C 
ATOM     14  C   LIG    1        3.810  -0.080   1.147  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1        2.345  -0.124   0.720  0.00  0.00    +0.109 C 
BRANCH  13  16
ATOM     16  N   LIG    1        6.140  -0.115   0.295  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1        6.521   1.293   0.584  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1        7.023   1.448  -0.855  0.00  0.00    +0.031 C 
ATOM     19  C   LIG    1        7.035  -0.084  -0.892  0.00  0.00    +0.086 C 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  20
ATOM     20  C   LIG    1       -3.648  -0.482   1.475  0.00  0.00    +0.090 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.982   0.183   1.223  0.00  0.00    +0.046 A 
ATOM     22  N   LIG    1       -5.808  -0.130   0.112  0.00  0.00    -0.296 N 
ATOM     23  C   LIG    1       -7.012   0.557  -0.072  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1       -7.623   0.116  -1.229  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1       -6.806  -0.889  -1.771  0.00  0.00    +0.078 A 
ATOM     26 CL   LIG    1       -7.164  -1.746  -3.194  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1       -7.460   1.561   0.861  0.00  0.00    +0.273 A 
ATOM     28  O   LIG    1       -8.504   2.196   0.756  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -6.606   1.770   1.922  0.00  0.00    -0.326 N 
ATOM     30  H   LIG    1       -6.912   2.471   2.587  0.00  0.00    +0.168 HD
ATOM     31  C   LIG    1       -5.723  -1.033  -0.936  0.00  0.00    +0.133 A 
ATOM     32 CL   LIG    1       -4.452  -2.162  -1.101  0.00  0.00    -0.062 Cl
ATOM     33  C   LIG    1       -5.415   1.114   2.100  0.00  0.00    +0.108 A 
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4