REMARK  Name = BDB056048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.724  -0.101  -0.455  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        3.036   1.109  -0.630  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.657   1.122  -0.857  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.934  -0.077  -0.915  0.00  0.00    -0.037 A 
ATOM      5  C   LIG    1        1.615  -1.286  -0.728  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        2.994  -1.297  -0.502  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        6.118   0.138  -1.234  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        5.175  -0.117  -0.213  0.00  0.00    -0.000 A 
ATOM      9  C   LIG    1        5.648  -0.399   1.083  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        7.016  -0.425   1.359  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        7.923  -0.169   0.340  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1        9.235  -0.194   0.604  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        7.491   0.111  -0.949  0.00  0.00    +0.057 A 
BRANCH   7  15
ATOM     14  N   LIG    1        5.412   0.657  -3.679  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        5.710   0.420  -2.582  0.00  0.00    +0.100 C 
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -0.557  -0.063  -1.149  0.00  0.00    +0.114 C 
BRANCH  16  17
ATOM     17  S   LIG    1       -1.468   0.034   0.419  0.00  0.00    -0.061 S 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.098   0.030  -0.174  0.00  0.00    +0.278 A 
ATOM     19  O   LIG    1       -4.184   0.102   0.658  0.00  0.00    -0.411 OA
ATOM     20  C   LIG    1       -5.227   0.068  -0.229  0.00  0.00    +0.249 A 
ATOM     21  N   LIG    1       -4.823  -0.017  -1.480  0.00  0.00    -0.106 NA
ATOM     22  N   LIG    1       -3.445  -0.042  -1.443  0.00  0.00    -0.101 NA
BRANCH  20  23
ATOM     23  C   LIG    1       -6.575   0.128   0.317  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -6.814   0.218   1.692  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1       -8.124   0.271   2.135  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1       -9.195   0.241   1.315  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1       -8.947   0.155  -0.008  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -7.674   0.096  -0.548  0.00  0.00    +0.033 A 
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6