REMARK  Name = BDB046251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.121   0.242  -1.471  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -0.566  -0.781  -0.600  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.669  -0.592   0.254  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -2.399   0.609   0.074  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -2.024   1.632  -0.823  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -0.858   1.432  -1.568  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.136  -1.593   1.339  0.00  0.00    -0.009 C 
ATOM      8  C   LIG    1       -1.042  -2.556   1.858  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -2.650  -0.856   2.608  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -3.296  -2.430   0.765  0.00  0.00    +0.015 C 
ENDBRANCH   3   7
BRANCH   5  11
ATOM     11  C   LIG    1       -2.871   2.914  -0.932  0.00  0.00    -0.013 C 
ATOM     12  C   LIG    1       -2.339   3.929  -1.970  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -4.312   2.551  -1.353  0.00  0.00    +0.015 C 
ATOM     14  C   LIG    1       -2.904   3.632   0.434  0.00  0.00    +0.015 C 
ENDBRANCH   5  11
BRANCH   1  16
ATOM     15  C   LIG    1        0.897   0.087  -3.780  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        1.113   0.123  -2.288  0.00  0.00    -0.040 C 
ATOM     17  C   LIG    1        2.355   0.069  -1.764  0.00  0.00    +0.004 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.709   0.135  -0.358  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        3.975   0.033   0.081  0.00  0.00    +0.003 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.418   0.080   1.479  0.00  0.00    -0.044 C 
ATOM     21  C   LIG    1        5.741  -0.025   1.726  0.00  0.00    +0.094 C 
ATOM     22  C   LIG    1        3.352   0.240   2.534  0.00  0.00    +0.044 C 
BRANCH  21  23
ATOM     23  C   LIG    1        6.411  -0.008   3.039  0.00  0.00    +0.330 C 
ATOM     24  O   LIG    1        5.930   0.095   4.148  0.00  0.00    -0.246 OA
BRANCH  23  25
ATOM     25  O   LIG    1        7.739  -0.130   2.862  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1        8.094  -0.108   3.775  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  19  20
ENDBRANCH  17  18
ENDBRANCH   1  16
BRANCH   2  27
ATOM     27  O   LIG    1        0.146  -1.954  -0.564  0.00  0.00    -0.485 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -0.234  -2.836  -1.636  0.00  0.00    +0.300 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.985  -3.610  -2.111  0.00  0.00    +0.378 C 
ATOM     30  F   LIG    1        0.598  -4.834  -2.559  0.00  0.00    -0.206 F 
ATOM     31  F   LIG    1        1.553  -2.984  -3.176  0.00  0.00    -0.206 F 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 10