REMARK  Name = BDB048768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.698  -0.383  -2.306  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.260   0.780  -1.486  0.00  0.00    +0.100 C 
BRANCH   2   5
ATOM      3  C   LIG    1       -0.993  -0.421   1.655  0.00  0.00    +0.088 C 
ATOM      4  C   LIG    1       -2.140  -0.142   0.775  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -2.291   0.341  -0.508  0.00  0.00    +0.086 A 
ATOM      6  N   LIG    1       -3.631   0.386  -0.827  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1       -4.238  -0.070   0.252  0.00  0.00    +0.228 A 
ATOM      8  O   LIG    1       -3.385  -0.411   1.270  0.00  0.00    -0.440 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -5.667  -0.254   0.498  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -6.152  -0.762   1.716  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1       -7.525  -0.926   1.923  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -8.417  -0.584   0.914  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1       -9.731  -0.742   1.113  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -7.963  -0.081  -0.299  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -6.591   0.084  -0.505  0.00  0.00    +0.016 A 
ENDBRANCH   7   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1        0.120  -1.254  -1.519  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.416  -0.900  -1.262  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.081   0.220  -1.761  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        3.396   0.439  -1.371  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        4.303   1.550  -1.805  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        5.385   1.487  -0.717  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        5.481   0.005  -0.296  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        4.061  -0.442  -0.508  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        3.418  -1.567  -0.025  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        2.090  -1.786  -0.403  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        6.097  -0.231   1.079  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.323   0.353   2.227  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1        4.434  -0.194   2.858  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.718   1.600   2.546  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        5.138   1.845   3.298  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8