REMARK  Name = BDB048137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.372  -0.238  -1.639  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1       -1.583   0.437  -1.626  0.00  0.00    +0.156 A 
ATOM      3  N   LIG    1       -2.797  -0.161  -1.460  0.00  0.00    -0.256 NA
ATOM      4  C   LIG    1       -2.806  -1.508  -1.285  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.637  -2.264  -1.301  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -0.415  -1.618  -1.475  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.871   0.295  -1.804  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.965   1.717  -1.921  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.434   2.117  -2.056  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        2.472   3.941   0.790  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.188   2.731   0.353  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.200   1.958  -0.789  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        4.100   0.928  -0.633  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.581   1.092   0.585  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.065   2.179   1.243  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.568   0.290   1.304  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.138  -0.830   0.680  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.084  -1.616   1.342  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.473  -1.292   2.640  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.917  -0.183   3.275  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.971   0.603   2.612  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       -4.139  -2.203  -1.126  0.00  0.00    +0.102 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.327  -1.375  -0.603  0.00  0.00    +0.171 C 
ATOM     24  O   LIG    1       -6.319  -2.369  -0.196  0.00  0.00    -0.362 OA
ATOM     25  C   LIG    1       -6.905  -1.941   1.035  0.00  0.00    +0.161 C 
ATOM     26  C   LIG    1       -5.774  -1.274   1.769  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1       -5.062  -0.535   0.659  0.00  0.00    +0.049 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -5.970  -0.505  -1.714  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -7.135  -0.598  -2.079  0.00  0.00    -0.248 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.160   0.439  -2.248  0.00  0.00    -0.479 OA
ATOM     31  H   LIG    1       -4.229   0.386  -1.919  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9