REMARK  Name = BDB047543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.785  -0.714   1.107  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.568  -0.157   0.404  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.811  -1.188  -0.163  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.621  -0.933  -0.833  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.187   0.389  -0.942  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.945   1.422  -0.367  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.429  -2.522   0.109  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -3.136   1.156   0.316  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.863  -2.125   0.486  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -6.050   0.164   1.045  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -8.066  -1.492   1.197  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -7.259  -0.370   1.834  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.442   0.568  -0.363  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -6.596  -0.156  -1.331  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.662   1.895  -0.472  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -6.895   2.013  -1.417  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1       -0.046   0.809  -1.572  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.768  -0.196  -2.184  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.981   0.477  -2.825  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.010   0.866  -1.823  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.057   1.958  -0.983  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        2.179   3.111  -0.724  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.202   1.869  -0.243  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.801   0.715  -0.678  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.126   0.083  -1.620  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.072   0.354  -0.053  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.657   1.141   0.949  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        7.875   0.771   1.530  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.527  -0.399   1.128  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1        9.850  -0.778   1.727  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1        7.956  -1.181   0.118  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        6.739  -0.809  -0.461  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9