REMARK  Name = BDB062247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.807   0.274   0.524  0.00  0.00    -0.319 N 
ATOM      2  H   LIG    1        1.334  -0.552   0.787  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -2.971  -2.571  -0.106  0.00  0.00    +0.067 C 
ATOM      4  C   LIG    1       -2.270  -1.261  -0.166  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -2.773  -0.053  -0.617  0.00  0.00    +0.061 A 
ATOM      6  S   LIG    1       -1.556   1.146  -0.528  0.00  0.00    -0.051 S 
ATOM      7  C   LIG    1       -0.461  -0.002   0.141  0.00  0.00    +0.159 A 
ATOM      8  N   LIG    1       -0.956  -1.209   0.277  0.00  0.00    -0.230 NA
BRANCH   5   9
ATOM      9  C   LIG    1       -4.080   0.251  -1.109  0.00  0.00    +0.077 A 
ATOM     10  N   LIG    1       -5.235   0.214  -0.366  0.00  0.00    -0.266 N 
ATOM     11  C   LIG    1       -5.381  -0.065   1.044  0.00  0.00    +0.173 C 
ATOM     12  N   LIG    1       -6.340   0.501  -1.086  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1       -5.865   0.774  -2.303  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1       -4.468   0.641  -2.374  0.00  0.00    +0.050 A 
ENDBRANCH   5   9
ENDBRANCH   1   7
BRANCH   1  15
ATOM     15  C   LIG    1        1.580   1.315  -0.124  0.00  0.00    +0.142 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.019   1.221   0.297  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        3.882   0.253  -0.213  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        3.654  -0.781  -1.252  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1        4.916  -1.619  -1.048  0.00  0.00    +0.234 C 
ATOM     20  O   LIG    1        5.929  -0.801  -0.421  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1        5.210   0.193   0.190  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1        5.743   1.077   1.107  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        4.894   2.046   1.642  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        3.553   2.109   1.239  0.00  0.00    +0.129 A 
ATOM     25  F   LIG    1        2.775   3.064   1.770  0.00  0.00    -0.205 F 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4