REMARK  Name = BDB048766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.184  -1.077  -1.667  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.495  -0.840  -2.416  0.00  0.00    +0.100 C 
BRANCH   2   7
ATOM      3  C   LIG    1       -4.096   0.473  -0.384  0.00  0.00    +0.228 A 
ATOM      4  O   LIG    1       -3.533   1.687  -0.684  0.00  0.00    -0.440 OA
ATOM      5  C   LIG    1       -2.475   1.380  -1.493  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -1.653   2.503  -1.976  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1       -2.442   0.011  -1.645  0.00  0.00    +0.086 A 
ATOM      8  N   LIG    1       -3.478  -0.555  -0.936  0.00  0.00    -0.214 NA
BRANCH   3  12
ATOM      9  C   LIG    1       -7.669  -2.058   2.015  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -7.035  -0.751   1.643  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1       -5.900  -0.723   0.819  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1       -5.272   0.488   0.484  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -5.798   1.680   1.001  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -6.919   1.661   1.835  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -7.531   0.451   2.158  0.00  0.00    +0.003 A 
ENDBRANCH   3  12
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1        0.626   0.098  -1.775  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.830   0.088  -1.123  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.362  -0.986  -0.406  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        3.600  -0.827   0.203  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        4.365  -1.839   0.995  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        5.387  -0.945   1.714  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        5.642   0.280   0.802  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        4.317   0.369   0.092  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        3.802   1.440  -0.618  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        2.552   1.291  -1.224  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        6.784   0.066  -0.194  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1        8.137   0.133   0.472  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1        8.335   0.370   1.653  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        9.149  -0.097  -0.397  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        8.853  -0.266  -1.312  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8