REMARK  Name = BDB048126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.415  -2.347   1.487  0.00  0.00    -0.476 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.567  -1.880   0.885  0.00  0.00    +0.215 A 
ATOM      3  N   LIG    1       -1.515  -0.816   0.059  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -2.679  -0.423  -0.507  0.00  0.00    +0.118 A 
ATOM      5  C   LIG    1       -3.904  -1.049  -0.291  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -3.913  -2.157   0.563  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -2.729  -2.581   1.159  0.00  0.00    +0.067 A 
BRANCH   5   8
ATOM      8  C   LIG    1       -5.171  -0.571  -0.950  0.00  0.00    +0.083 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.844   0.684  -0.355  0.00  0.00    +0.169 C 
ATOM     10  O   LIG    1       -7.253   0.636  -0.772  0.00  0.00    -0.362 OA
ATOM     11  C   LIG    1       -8.075   0.475   0.397  0.00  0.00    +0.161 C 
ATOM     12  C   LIG    1       -7.157   0.059   1.520  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -5.887   0.791   1.167  0.00  0.00    +0.049 C 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.263   1.956  -0.986  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1       -4.147   2.404  -0.772  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.137   2.548  -1.841  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1       -6.970   2.018  -1.837  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        0.725  -1.500   1.302  0.00  0.00    +0.237 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.440  -1.810  -0.013  0.00  0.00    +0.100 C 
BRANCH  19  24
ATOM     20  C   LIG    1        4.478  -0.008  -0.376  0.00  0.00    +0.228 A 
ATOM     21  O   LIG    1        3.675   0.952  -0.937  0.00  0.00    -0.440 OA
ATOM     22  C   LIG    1        2.420   0.416  -0.887  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        1.310   1.228  -1.415  0.00  0.00    +0.088 C 
ATOM     24  C   LIG    1        2.514  -0.830  -0.304  0.00  0.00    +0.086 A 
ATOM     25  N   LIG    1        3.827  -1.088   0.020  0.00  0.00    -0.214 NA
BRANCH  20  30
ATOM     26  C   LIG    1       10.144   1.103   0.015  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        8.678   0.811  -0.115  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1        7.811   1.762  -0.661  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.439   1.502  -0.754  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        5.905   0.291  -0.293  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        6.779  -0.651   0.267  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        8.151  -0.394   0.361  0.00  0.00    +0.004 A 
ENDBRANCH  20  30
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9