REMARK  Name = BDB048114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.007  -0.678   0.421  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -0.599   0.399   0.975  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.775   0.787   0.435  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -2.400   0.148  -0.634  0.00  0.00    -0.028 A 
ATOM      5  C   LIG    1       -1.751  -0.960  -1.182  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.538  -1.384  -0.645  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        1.194  -1.140   0.921  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.722  -0.318   1.970  0.00  0.00    +0.237 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.043  -0.918   2.448  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.927  -2.516  -0.389  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        4.490  -1.367   0.339  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        4.159  -0.685   1.491  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        5.058   0.339   1.691  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        5.888   0.251   0.668  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        5.596  -0.773  -0.198  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        7.047   1.079   0.345  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        7.396   2.143   1.192  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        8.499   2.952   0.910  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        9.269   2.708  -0.225  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.938   1.656  -1.077  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.834   0.847  -0.793  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       -3.717   0.643  -1.179  0.00  0.00    +0.054 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.003  -0.020  -0.603  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1       -5.071   0.145   0.937  0.00  0.00    +0.018 C 
ATOM     25  C   LIG    1       -6.420  -0.246   1.546  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1       -7.584   0.462   0.867  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -7.563   0.240  -0.639  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -6.231   0.678  -1.246  0.00  0.00    +0.018 C 
BRANCH  23  29
ATOM     29  C   LIG    1       -4.999  -1.502  -0.982  0.00  0.00    +0.311 C 
ATOM     30  O   LIG    1       -4.931  -2.457  -0.226  0.00  0.00    -0.250 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -5.071  -1.718  -2.311  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -5.080  -2.696  -2.385  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9