REMARK  Name = BDB047533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.620   0.428  -0.774  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.833  -0.930  -0.529  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -2.035  -1.332   0.034  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.434  -2.726   0.397  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1       -3.953  -2.566   0.511  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1       -4.207  -1.120   1.017  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -3.034  -0.409   0.372  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -2.823   0.940   0.140  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -1.617   1.356  -0.443  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.653  -0.585   0.795  0.00  0.00    +0.069 C 
ATOM     11  C   LIG    1       -6.715  -1.673   1.063  0.00  0.00    +0.023 C 
ATOM     12  C   LIG    1       -5.947   0.554   1.800  0.00  0.00    +0.023 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -5.850  -0.045  -0.618  0.00  0.00    +0.311 C 
ATOM     14  O   LIG    1       -5.981   1.127  -0.937  0.00  0.00    -0.250 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.874  -0.997  -1.569  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -5.958  -0.492  -2.406  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  O   LIG    1        0.590   0.718  -1.341  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.922   2.097  -1.505  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.332   2.215  -2.084  0.00  0.00    +0.100 C 
BRANCH  19  22
ATOM     20  C   LIG    1        3.334   3.567   0.852  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        3.788   2.410   0.062  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        3.405   1.825  -1.127  0.00  0.00    +0.086 A 
ATOM     23  N   LIG    1        4.224   0.749  -1.388  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1        5.043   0.698  -0.354  0.00  0.00    +0.228 A 
ATOM     25  O   LIG    1        4.832   1.690   0.569  0.00  0.00    -0.440 OA
BRANCH  24  26
ATOM     26  C   LIG    1        6.120  -0.248  -0.074  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.379  -1.289  -0.980  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        7.403  -2.209  -0.740  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.182  -2.101   0.409  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.938  -1.074   1.319  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.913  -0.154   1.079  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8