REMARK  Name = BDB048131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.458  -1.086   1.658  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -0.347  -0.297   0.569  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.488   0.267   0.113  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -2.740   0.087   0.695  0.00  0.00    -0.028 A 
ATOM      5  C   LIG    1       -2.811  -0.730   1.826  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.652  -1.325   2.316  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.664  -1.689   2.194  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.857  -1.502   1.426  0.00  0.00    +0.237 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.545  -0.186   1.784  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        2.666   1.304  -1.212  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.701   0.722  -0.342  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.693   0.102   0.889  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        4.975  -0.266   1.228  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        5.710   0.140   0.208  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.991   0.750  -0.788  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        7.152   0.024   0.007  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        7.784   0.510  -1.148  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        9.166   0.384  -1.314  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        9.935  -0.229  -0.327  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        9.324  -0.717   0.826  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.942  -0.591   0.991  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -3.971   0.748   0.121  0.00  0.00    +0.052 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.941  -0.241  -0.566  0.00  0.00    +0.107 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.332   0.372  -0.955  0.00  0.00    -0.025 C 
ATOM     25  C   LIG    1       -7.080   0.834   0.316  0.00  0.00    +0.011 C 
ATOM     26  C   LIG    1       -6.207   1.580  -1.902  0.00  0.00    +0.011 C 
ATOM     27  C   LIG    1       -7.218  -0.693  -1.639  0.00  0.00    +0.011 C 
ENDBRANCH  23  24
BRANCH  23  28
ATOM     28  C   LIG    1       -4.268  -0.918  -1.749  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1       -4.375  -2.097  -2.046  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -3.543  -0.093  -2.526  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -3.206  -0.683  -3.234  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10