REMARK  Name = BDB046262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.546   0.760   1.093  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -1.457   1.284   0.155  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -2.488   0.491  -0.383  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1       -2.544  -0.865  -0.009  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -1.629  -1.422   0.898  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1       -0.645  -0.593   1.452  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        0.008   2.613   2.706  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        0.508   1.584   1.728  0.00  0.00    -0.040 C 
ATOM      9  C   LIG    1        1.824   1.435   1.470  0.00  0.00    +0.004 C 
BRANCH   9  10
ATOM     10  C   LIG    1        2.422   0.500   0.537  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1        3.748   0.389   0.364  0.00  0.00    +0.003 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.383  -0.532  -0.574  0.00  0.00    -0.044 C 
ATOM     13  C   LIG    1        4.020  -1.829  -0.620  0.00  0.00    +0.094 C 
ATOM     14  C   LIG    1        5.464   0.099  -1.410  0.00  0.00    +0.044 C 
BRANCH  13  15
ATOM     15  C   LIG    1        4.636  -2.856  -1.474  0.00  0.00    +0.330 C 
ATOM     16  O   LIG    1        5.635  -2.776  -2.160  0.00  0.00    -0.246 OA
BRANCH  15  17
ATOM     17  O   LIG    1        3.922  -3.993  -1.400  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1        4.406  -4.606  -1.991  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  11  12
ENDBRANCH   9  10
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -3.527   1.066  -1.335  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -3.440   0.415  -2.718  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -4.944   0.944  -0.764  0.00  0.00    +0.012 C 
ENDBRANCH   3  19
BRANCH   5  22
ATOM     22  C   LIG    1       -1.727  -2.893   1.265  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -2.048  -3.081   2.749  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -0.455  -3.654   0.880  0.00  0.00    +0.012 C 
ENDBRANCH   5  22
BRANCH   2  25
ATOM     25  O   LIG    1       -1.380   2.612  -0.193  0.00  0.00    -0.485 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.465   2.796  -1.287  0.00  0.00    +0.300 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -0.117   4.270  -1.399  0.00  0.00    +0.378 C 
ATOM     28  F   LIG    1        0.379   4.530  -2.637  0.00  0.00    -0.206 F 
ATOM     29  F   LIG    1        0.866   4.588  -0.518  0.00  0.00    -0.206 F 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 10