REMARK  Name = BDB007027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.253   0.719  -0.408  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1       -4.174  -0.245  -0.092  0.00  0.00    -0.254 NA
ATOM      3  C   LIG    1       -3.759  -1.528  -0.030  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1       -2.456  -1.895  -0.276  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1       -1.833  -3.261  -0.219  0.00  0.00    +0.009 C 
ATOM      6  C   LIG    1       -0.387  -2.947  -0.683  0.00  0.00    +0.124 C 
ATOM      7  N   LIG    1       -0.258  -1.482  -0.809  0.00  0.00    -0.269 N 
ATOM      8  C   LIG    1        0.878  -0.783  -1.192  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        0.876   0.420  -1.462  0.00  0.00    -0.274 OA
ATOM     10  C   LIG    1       -1.839  -3.805   1.214  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -2.518  -4.246  -1.171  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -1.530  -0.911  -0.597  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -1.913   0.416  -0.657  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -3.688   2.185  -0.440  0.00  0.00    +0.290 C 
ATOM     15  F   LIG    1       -3.010   2.890  -1.399  0.00  0.00    -0.199 F 
ATOM     16  F   LIG    1       -3.393   2.806   0.740  0.00  0.00    -0.199 F 
BRANCH  14  17
ATOM     17  C   LIG    1       -5.187   2.348  -0.723  0.00  0.00    +0.082 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -5.523   4.679   0.289  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -5.638   3.796  -0.944  0.00  0.00    +0.003 C 
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   1  14
BRANCH   8  20
ATOM     20  C   LIG    1        2.191  -1.573  -1.301  0.00  0.00    +0.181 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.178  -1.330  -0.233  0.00  0.00    -0.288 NA
ATOM     22  C   LIG    1        3.798   0.022  -0.122  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1        3.040   0.994   0.838  0.00  0.00    +0.100 C 
ATOM     24  N   LIG    1        2.741   0.408   2.161  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1        3.631   0.217   2.622  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1        2.015  -0.860   1.988  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1        1.762  -1.478   3.363  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1        2.798  -1.850   1.089  0.00  0.00    +0.103 C 
BRANCH  22  29
ATOM     29  C   LIG    1        4.137   0.693  -1.475  0.00  0.00    +0.083 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.047   1.878  -1.315  0.00  0.00    +0.080 A 
ATOM     31  S   LIG    1        4.595   3.416  -1.944  0.00  0.00    -0.081 S 
ATOM     32  C   LIG    1        6.062   4.075  -1.358  0.00  0.00    +0.066 A 
ATOM     33  C   LIG    1        6.797   3.091  -0.734  0.00  0.00    +0.119 A 
ATOM     34  N   LIG    1        6.218   1.838  -0.713  0.00  0.00    -0.252 NA
ENDBRANCH  29  30
ENDBRANCH  22  29
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 7