REMARK  Name = BDB048143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.150   2.071   0.089  0.00  0.00    +0.318 A 
ATOM      2  N   LIG    1       -2.315   2.730   0.120  0.00  0.00    -0.203 NA
ATOM      3  C   LIG    1       -3.408   2.001   0.418  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -3.375   0.649   0.696  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -2.115   0.085   0.649  0.00  0.00    +0.121 A 
ATOM      6  N   LIG    1       -0.994   0.765   0.348  0.00  0.00    -0.203 NA
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.057   2.852  -0.208  0.00  0.00    -0.462 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.176   2.139  -0.320  0.00  0.00    +0.238 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.843   1.974   1.045  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        4.773   3.612   1.317  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        4.424   2.208   1.044  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.246   1.501   0.927  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        3.529   0.181   0.659  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.848   0.128   0.629  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        5.457   1.335   0.858  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.721  -1.019   0.389  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        5.155  -2.280   0.146  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        5.964  -3.396  -0.088  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.351  -3.264  -0.082  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.929  -2.019   0.157  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.119  -0.903   0.391  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       -4.594  -0.156   1.035  0.00  0.00    +0.084 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.490  -0.586  -0.142  0.00  0.00    +0.169 C 
ATOM     24  O   LIG    1       -6.296  -1.727   0.299  0.00  0.00    -0.362 OA
ATOM     25  C   LIG    1       -6.218  -2.758  -0.703  0.00  0.00    +0.161 C 
ATOM     26  C   LIG    1       -5.704  -2.096  -1.959  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1       -4.761  -1.059  -1.397  0.00  0.00    +0.049 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -6.496   0.535  -0.459  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -6.229   1.585  -1.021  0.00  0.00    -0.248 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.747   0.239  -0.020  0.00  0.00    -0.479 OA
ATOM     31  H   LIG    1       -7.727  -0.662   0.383  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9