REMARK  Name = BDB046467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.459   0.173   1.245  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -0.949  -0.795   0.340  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.765  -0.406  -0.743  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1       -2.165   0.943  -0.838  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -1.745   1.912   0.083  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -0.879   1.509   1.107  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.170   3.315  -0.042  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1       -2.789   3.980   1.033  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -3.193   5.312   0.916  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -2.978   5.991  -0.276  0.00  0.00    +0.123 A 
ATOM     11  F   LIG    1       -3.365   7.268  -0.387  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -2.369   5.363  -1.353  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -1.966   4.030  -1.236  0.00  0.00    +0.011 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     14  C   LIG    1        0.064   0.084   3.717  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        0.549  -0.092   2.300  0.00  0.00    -0.040 C 
ATOM     16  C   LIG    1        1.828  -0.430   2.037  0.00  0.00    +0.004 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.433  -0.589   0.728  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1        3.714  -0.954   0.555  0.00  0.00    +0.003 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.396  -1.141  -0.730  0.00  0.00    -0.044 C 
ATOM     20  C   LIG    1        5.722  -1.387  -0.718  0.00  0.00    +0.094 C 
ATOM     21  C   LIG    1        3.555  -1.090  -1.983  0.00  0.00    +0.044 C 
BRANCH  20  22
ATOM     22  C   LIG    1        6.623  -1.568  -1.864  0.00  0.00    +0.330 C 
ATOM     23  O   LIG    1        7.615  -2.276  -1.852  0.00  0.00    -0.246 OA
BRANCH  22  24
ATOM     24  O   LIG    1        6.322  -0.800  -2.920  0.00  0.00    -0.478 OA
ATOM     25  H   LIG    1        7.031  -0.999  -3.565  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  18  19
ENDBRANCH  16  17
ENDBRANCH   1  15
BRANCH   3  26
ATOM     26  C   LIG    1       -2.218  -1.350  -1.855  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1       -1.036  -1.868  -2.681  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -3.101  -2.497  -1.365  0.00  0.00    +0.012 C 
ENDBRANCH   3  26
BRANCH   2  29
ATOM     29  O   LIG    1       -0.618  -2.125   0.398  0.00  0.00    -0.485 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -0.871  -2.809   1.636  0.00  0.00    +0.300 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.282  -2.670   2.197  0.00  0.00    +0.378 C 
ATOM     32  F   LIG    1       -3.107  -3.577   1.610  0.00  0.00    -0.206 F 
ATOM     33  F   LIG    1       -2.267  -2.981   3.522  0.00  0.00    -0.206 F 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 10