REMARK  Name = BDB048556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.676   1.339   0.714  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.881   0.755   1.706  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.536   0.474   1.454  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.035   0.769   0.214  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.754   1.349  -0.778  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.102   1.631  -0.529  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.141   1.623   0.970  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.044   0.440   0.582  0.00  0.00    +0.230 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.428   0.648   1.210  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -6.702   1.355   2.168  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -7.402  -0.093   0.638  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -8.211   0.158   1.130  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -5.115   0.384  -0.849  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -3.817  -1.547  -1.530  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -5.200  -0.940  -1.373  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        1.358   0.440   0.104  0.00  0.00    -0.488 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.001   0.738  -1.133  0.00  0.00    +0.256 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.450   0.331  -1.097  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1        4.086  -0.248  -0.064  0.00  0.00    +0.007 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.501  -0.639  -0.081  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1        5.883  -1.822   0.567  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        7.224  -2.209   0.591  0.00  0.00    +0.019 A 
ATOM     23 BR   LIG    1        7.717  -3.816   1.460  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1        8.202  -1.427  -0.016  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        7.826  -0.243  -0.646  0.00  0.00    +0.019 A 
ATOM     26 BR   LIG    1        9.144   0.840  -1.463  0.00  0.00    -0.050 Br
ATOM     27  C   LIG    1        6.489   0.156  -0.677  0.00  0.00    +0.023 A 
ENDBRANCH  19  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 10