REMARK  Name = BDB033042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.593  -0.043   0.108  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.445   0.299  -0.955  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.542   0.833  -0.188  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.075   1.417   0.986  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.694   2.175   1.716  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.374   1.036   1.169  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.756  -1.230   1.424  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.959  -0.667   0.351  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        1.957  -0.081  -0.397  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        2.227   0.611  -1.084  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.354  -0.548  -0.157  0.00  0.00    +0.078 A 
ATOM     12  C   LIG    1        5.428  -0.682   0.737  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        6.742  -0.552   0.292  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        7.000  -0.306  -1.056  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.943  -0.199  -1.960  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.623  -0.323  -1.515  0.00  0.00    +0.017 A 
BRANCH  12  17
ATOM     17  O   LIG    1        5.266  -0.944   2.071  0.00  0.00    -0.506 OA
ATOM     18  H   LIG    1        4.319  -1.166   2.222  0.00  0.00    +0.292 HD
ENDBRANCH  12  17
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -2.785   1.240  -0.809  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.998   0.678  -0.096  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -4.348  -0.692  -0.141  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -5.489  -1.129   0.562  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -6.273  -0.236   1.292  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.924   1.107   1.341  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.796   1.560   0.657  0.00  0.00    +0.006 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -3.522  -1.716  -0.886  0.00  0.00    +0.418 C 
ATOM     27  F   LIG    1       -2.363  -2.035  -0.245  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -3.159  -1.310  -2.137  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -4.171  -2.902  -1.074  0.00  0.00    -0.166 F 
ENDBRANCH  21  26
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6