REMARK  Name = BDB046409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.126   0.992   0.978  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -0.465  -0.013   0.237  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.126  -1.185  -0.205  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.431  -1.333   0.283  0.00  0.00    +0.174 A 
ATOM      5  C   LIG    1       -3.090  -0.430   1.093  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -4.362  -1.025   1.321  0.00  0.00    +0.193 A 
ATOM      7  N   LIG    1       -4.460  -2.208   0.691  0.00  0.00    -0.073 NA
ATOM      8  O   LIG    1       -3.257  -2.387   0.034  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1       -2.436   0.759   1.447  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.475  -0.475   2.142  0.00  0.00    +0.438 C 
ATOM     11  F   LIG    1       -5.602   0.872   1.985  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1       -6.688  -1.010   1.844  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -5.270  -0.684   3.470  0.00  0.00    -0.164 F 
ENDBRANCH   6  10
BRANCH   1  14
ATOM     14  C   LIG    1       -0.478   2.332   1.275  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -0.552   4.835   0.968  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -1.278   3.520   0.724  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1        0.842   0.215  -0.131  0.00  0.00    -0.472 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.778  -0.572   0.630  0.00  0.00    +0.311 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.955  -0.897  -0.286  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.518  -2.184  -0.285  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        4.604  -2.485  -1.111  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.138  -1.500  -1.940  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        6.475  -1.873  -2.957  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        4.599  -0.217  -1.947  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        3.514   0.085  -1.121  0.00  0.00    +0.009 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1        2.300   0.112   1.908  0.00  0.00    +0.351 C 
ATOM     27  O   LIG    1        2.285   1.299   2.189  0.00  0.00    -0.246 OA
BRANCH  26  28
ATOM     28  O   LIG    1        2.844  -0.769   2.783  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1        3.160  -0.202   3.519  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  18  26
ENDBRANCH  17  18
ENDBRANCH   2  17
BRANCH   3  30
ATOM     30  C   LIG    1       -0.537  -2.175  -1.175  0.00  0.00    +0.042 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -1.002  -1.957  -2.619  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -0.431  -0.694  -3.250  0.00  0.00    +0.004 C 
ENDBRANCH  30  31
ENDBRANCH   3  30
TORSDOF 10