REMARK  Name = BDB048145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.848  -1.351   0.219  0.00  0.00    +0.045 A 
ATOM      2  N   LIG    1       -3.418  -2.629   0.165  0.00  0.00    -0.256 NA
ATOM      3  C   LIG    1       -2.105  -2.834  -0.099  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1       -1.178  -1.823  -0.320  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1       -1.642  -0.514  -0.259  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -2.990  -0.272   0.015  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -5.304  -1.137   0.545  0.00  0.00    +0.098 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.590  -1.158   2.046  0.00  0.00    +0.232 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.337  -2.541   2.653  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -6.002  -3.538   2.412  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -4.319  -2.526   3.554  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -3.947  -1.614   3.564  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -4.786  -0.188   2.753  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -6.320   1.137   4.081  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -5.404   1.094   2.871  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.102  -2.223  -0.572  0.00  0.00    -0.490 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.062  -1.195  -0.831  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.412  -1.859  -1.087  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.460  -0.886  -1.486  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        4.344  -0.932  -2.542  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        4.608  -1.878  -3.640  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1        5.114   0.196  -2.495  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1        4.660   0.874  -1.393  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1        3.671   0.267  -0.762  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1        5.314   2.142  -1.081  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        6.345   2.663  -1.878  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        6.952   3.881  -1.555  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.536   4.592  -0.431  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.514   4.088   0.371  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.908   2.872   0.047  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11