REMARK  Name = BDB047033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.700  -2.929  -0.214  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        2.103  -1.861  -0.170  0.00  0.00    +0.193 A 
ATOM      3  C   LIG    1        2.799  -0.570  -0.160  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1        2.037   0.591  -0.109  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1        2.668   1.835  -0.098  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        4.063   1.908  -0.138  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        4.825   0.740  -0.189  0.00  0.00    +0.001 A 
ATOM      8  O   LIG    1        0.667   0.583  -0.068  0.00  0.00    -0.455 OA
ATOM      9  C   LIG    1       -0.007  -0.636  -0.077  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        4.195  -0.505  -0.200  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        0.631  -1.818  -0.125  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -1.494  -0.505  -0.029  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -2.084   0.776   0.019  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1       -3.469   0.920   0.064  0.00  0.00    +0.159 A 
ATOM     15  C   LIG    1       -4.293  -0.198   0.062  0.00  0.00    +0.158 A 
ATOM     16  C   LIG    1       -3.750  -1.468   0.015  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -2.358  -1.619  -0.030  0.00  0.00    +0.015 A 
BRANCH  14  18
ATOM     18  O   LIG    1       -4.068   2.149   0.112  0.00  0.00    -0.503 OA
ATOM     19  H   LIG    1       -3.372   2.828   0.108  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
BRANCH  15  20
ATOM     20  O   LIG    1       -5.649  -0.051   0.106  0.00  0.00    -0.503 OA
ATOM     21  H   LIG    1       -5.790   0.917   0.134  0.00  0.00    +0.292 HD
ENDBRANCH  15  20
ENDBRANCH   9  12
TORSDOF 3