REMARK  Name = BDB048102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.073   2.327   1.069  0.00  0.00    -0.476 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.178   1.768   0.459  0.00  0.00    +0.215 A 
ATOM      3  N   LIG    1       -2.026   0.993  -0.634  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -3.153   0.483  -1.176  0.00  0.00    +0.118 A 
ATOM      5  C   LIG    1       -4.437   0.705  -0.681  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -4.551   1.523   0.444  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -3.406   2.062   1.025  0.00  0.00    +0.067 A 
BRANCH   5   8
ATOM      8  C   LIG    1       -5.639   0.083  -1.342  0.00  0.00    +0.083 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.216  -1.176  -0.670  0.00  0.00    +0.169 C 
ATOM     10  O   LIG    1       -7.054  -1.865  -1.658  0.00  0.00    -0.362 OA
ATOM     11  C   LIG    1       -6.703  -3.261  -1.659  0.00  0.00    +0.161 C 
ATOM     12  C   LIG    1       -5.936  -3.514  -0.384  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -5.194  -2.211  -0.206  0.00  0.00    +0.049 C 
BRANCH   9  14
ATOM     14  C   LIG    1       -7.174  -0.771   0.467  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1       -6.842  -0.391   1.579  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -8.477  -0.879   0.094  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1       -8.502  -1.242  -0.823  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.164   1.929   0.470  0.00  0.00    +0.237 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.296   2.613   1.229  0.00  0.00    +0.100 C 
BRANCH  19  24
ATOM     20  C   LIG    1        4.469   1.274   0.369  0.00  0.00    +0.228 A 
ATOM     21  O   LIG    1        4.510   2.312  -0.525  0.00  0.00    -0.440 OA
ATOM     22  C   LIG    1        3.327   2.970  -0.339  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        3.084   4.155  -1.178  0.00  0.00    +0.088 C 
ATOM     24  C   LIG    1        2.628   2.311   0.650  0.00  0.00    +0.086 A 
ATOM     25  N   LIG    1        3.364   1.233   1.091  0.00  0.00    -0.214 NA
BRANCH  20  29
ATOM     26  C   LIG    1        7.823  -1.391   0.504  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        7.815  -0.319  -0.389  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        6.727   0.559  -0.444  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        5.622   0.379   0.398  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        5.639  -0.702   1.292  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1        6.729  -1.581   1.347  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1        9.002  -3.273   1.349  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        8.946  -2.170   0.454  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  20  29
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10