REMARK  Name = BDB048116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.786   0.691   0.808  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -1.652   0.795   0.004  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1       -0.432   0.308   0.326  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -0.322  -0.297   1.525  0.00  0.00    +0.215 A 
ATOM      5  C   LIG    1       -1.375  -0.433   2.413  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1       -2.620   0.077   2.051  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.097   1.284   0.360  0.00  0.00    +0.083 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.332   0.379   0.087  0.00  0.00    +0.169 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.749  -0.364   1.373  0.00  0.00    +0.337 C 
ATOM     10  O   LIG    1       -5.828  -1.572   1.536  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -6.095   0.461   2.388  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -6.394  -0.141   3.100  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1       -5.160  -0.599  -1.105  0.00  0.00    +0.043 C 
ATOM     14  C   LIG    1       -3.989  -1.569  -1.075  0.00  0.00    +0.007 C 
ENDBRANCH   8  13
BRANCH   8  15
ATOM     15  O   LIG    1       -6.367   1.346  -0.265  0.00  0.00    -0.362 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -8.628   1.998  -0.625  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1       -7.664   0.829  -0.553  0.00  0.00    +0.158 C 
ENDBRANCH  15  17
ENDBRANCH   8  15
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  O   LIG    1        0.889  -0.823   1.926  0.00  0.00    -0.476 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.944  -0.591   0.985  0.00  0.00    +0.237 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.213  -1.235   1.534  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.364  -1.098   0.609  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        4.753  -1.907  -0.437  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        4.245  -3.151  -1.041  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1        5.878  -1.365  -0.991  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1        6.117  -0.239  -0.247  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1        5.238  -0.040   0.719  0.00  0.00    -0.214 NA
BRANCH  25  27
ATOM     27  C   LIG    1        7.279   0.564  -0.616  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        7.573   1.731   0.107  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        8.679   2.519  -0.223  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        9.506   2.151  -1.282  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.229   0.995  -2.010  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        8.123   0.207  -1.679  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 12