REMARK  Name = BDB047781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.006   1.317   1.146  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -3.202   0.491   1.006  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -4.032  -0.633   0.893  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -3.596  -1.943   0.828  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -4.792  -2.705   0.721  0.00  0.00    +0.193 A 
ATOM      6  N   LIG    1       -5.874  -1.906   0.716  0.00  0.00    -0.073 NA
ATOM      7  C   LIG    1       -2.218  -2.197   0.875  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.341  -1.106   0.985  0.00  0.00    +0.047 A 
ATOM      9  O   LIG    1       -5.392  -0.615   0.827  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1       -1.816   0.213   1.044  0.00  0.00    +0.127 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -4.909  -4.184   0.607  0.00  0.00    +0.438 C 
ATOM     12  F   LIG    1       -3.956  -4.826   1.337  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -6.105  -4.668   1.033  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1       -4.750  -4.605  -0.677  0.00  0.00    -0.164 F 
ENDBRANCH   5  11
BRANCH   2  15
ATOM     15  C   LIG    1       -3.756   1.891   1.060  0.00  0.00    +0.042 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -2.907   2.751  -1.190  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -4.118   2.459  -0.316  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  C   LIG    1        0.405   1.121   1.048  0.00  0.00    +0.231 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.062   2.500   1.042  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.586   2.441   1.093  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.178   1.761  -0.048  0.00  0.00    -0.347 N 
ATOM     22  C   LIG    1        3.649   0.462  -0.066  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        4.093   0.214  -1.370  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.614  -1.056  -1.691  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        4.686  -2.034  -0.688  0.00  0.00    +0.060 A 
ATOM     26  C   LIG    1        4.224  -1.774   0.603  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        3.888   1.401  -2.122  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        3.705  -0.520   0.937  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1        3.334   2.338  -1.282  0.00  0.00    +0.087 A 
BRANCH  25  30
ATOM     30  C   LIG    1        5.221  -3.382  -0.982  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        4.720  -4.405  -0.552  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        6.344  -3.351  -1.729  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        6.720  -2.459  -1.858  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10