REMARK  Name = BDB048751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.269   1.107  -2.263  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.753   1.163  -2.627  0.00  0.00    +0.100 C 
BRANCH   2   5
ATOM      3  C   LIG    1       -2.224   3.526  -0.253  0.00  0.00    +0.088 C 
ATOM      4  C   LIG    1       -2.821   2.202  -0.497  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -2.654   1.211  -1.442  0.00  0.00    +0.086 A 
ATOM      6  N   LIG    1       -3.518   0.173  -1.170  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1       -4.148   0.548  -0.073  0.00  0.00    +0.228 A 
ATOM      8  O   LIG    1       -3.772   1.782   0.390  0.00  0.00    -0.440 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -5.171  -0.161   0.690  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -5.756   0.392   1.837  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -6.729  -0.319   2.534  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1       -7.280   0.223   3.628  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -7.139  -1.579   2.116  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -6.567  -2.143   0.979  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -5.589  -1.436   0.272  0.00  0.00    +0.013 A 
ENDBRANCH   7   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1        0.035  -0.173  -1.710  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.320  -0.384  -1.288  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.382   0.514  -1.417  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        3.631   0.140  -0.937  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        4.882   0.960  -0.934  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        5.951  -0.092  -0.598  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        5.253  -1.262   0.132  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        3.832  -1.100  -0.325  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        2.788  -1.999  -0.190  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        1.531  -1.633  -0.678  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.431  -1.277   1.648  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.892  -0.062   2.351  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1        5.375   1.058   2.330  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        3.773  -0.318   3.055  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        3.511   0.552   3.420  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8