REMARK  Name = BDB013041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.376  -0.340  -0.271  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.597  -1.385  -0.840  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.748  -1.392  -0.559  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.257  -2.461  -1.239  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.292  -3.083  -1.879  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.374  -0.438   0.254  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.656   0.531   0.756  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.880  -2.405  -1.625  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.696   0.559   0.475  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.617   0.112  -0.895  0.00  0.00    +0.083 A 
ATOM     11  C   LIG    1        4.752  -0.162  -1.958  0.00  0.00    +0.146 A 
ATOM     12  F   LIG    1        5.250  -0.277  -3.200  0.00  0.00    -0.203 F 
ATOM     13  C   LIG    1        3.381  -0.313  -1.763  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        2.834  -0.167  -0.482  0.00  0.00    -0.010 A 
ATOM     15  C   LIG    1        3.701   0.124   0.586  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        5.079   0.280   0.379  0.00  0.00    +0.028 A 
BRANCH  10  17
ATOM     17  N   LIG    1        7.004   0.330  -1.187  0.00  0.00    -0.218 N 
ATOM     18  H   LIG    1        7.234   0.214  -2.180  0.00  0.00    +0.173 HD
BRANCH  17  20
ATOM     19  C   LIG    1        8.824   0.975   0.656  0.00  0.00    +0.218 C 
ATOM     20  S   LIG    1        8.190  -0.418  -0.251  0.00  0.00    +0.040 S 
ATOM     21  O   LIG    1        9.220  -0.830  -1.181  0.00  0.00    -0.155 OA
ATOM     22  O   LIG    1        7.596  -1.347   0.682  0.00  0.00    -0.155 OA
ENDBRANCH  17  20
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  N   LIG    1       -2.728  -0.544   0.491  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.144  -1.467   0.422  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.378   0.286   1.492  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.867   0.146   1.363  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.578   0.708   0.306  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.096   1.468  -0.873  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.435   1.990  -1.395  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.495   1.132  -0.913  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -6.952   0.534   0.194  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.679  -0.197   1.111  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -6.990  -0.763   2.183  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.604  -0.590   2.300  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -4.974  -1.167   3.333  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6