REMARK  Name = BDB047362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.042  -0.679  -0.043  0.00  0.00    +0.212 C 
ATOM      2  O   LIG    1       -4.717  -0.231   1.315  0.00  0.00    -0.474 OA
ATOM      3  C   LIG    1       -3.353  -0.231   1.388  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -2.740  -0.839   0.313  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -1.361  -0.929   0.242  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -0.595  -0.379   1.278  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -1.232   0.235   2.369  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -2.628   0.307   2.429  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.771  -1.368  -0.606  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -5.886   0.339  -2.297  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -5.485   0.592  -0.840  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -6.619   1.355  -0.137  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   1  13
ATOM     13  C   LIG    1       -6.192  -1.704   0.084  0.00  0.00    +0.350 C 
ATOM     14  O   LIG    1       -6.883  -1.859   1.081  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.422  -2.448  -1.028  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -5.848  -2.272  -1.795  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  O   LIG    1        0.756  -0.517   1.113  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.599   0.095   2.094  0.00  0.00    +0.270 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.058  -0.129   1.690  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.362   0.724   0.583  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.620   0.660   0.047  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        4.886   1.498  -1.047  0.00  0.00    +0.086 A 
ATOM     23 CL   LIG    1        3.678   2.560  -1.683  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        6.144   1.499  -1.657  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        7.162   0.666  -1.188  0.00  0.00    +0.132 A 
ATOM     26  C   LIG    1        6.904  -0.169  -0.101  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.642  -0.171   0.512  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  O   LIG    1        8.337   0.767  -1.875  0.00  0.00    -0.406 OA
BRANCH  28  29
ATOM     29  C   LIG    1        9.422  -0.046  -1.461  0.00  0.00    +0.575 C 
ATOM     30  F   LIG    1        9.779   0.231  -0.189  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1       10.482   0.202  -2.260  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1        9.113  -1.357  -1.566  0.00  0.00    -0.133 F 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 10