REMARK  Name = BDB013314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.255   1.904  -1.251  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -1.477   1.288  -0.581  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -2.614   1.649  -0.878  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -1.222   0.316   0.377  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        0.130  -0.120   0.767  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        1.274   0.231  -0.230  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        0.736   0.782  -1.555  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        2.221  -0.944  -0.442  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1        3.517  -0.899   0.100  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        4.390  -1.975  -0.068  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        5.972  -1.902   0.605  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        3.990  -3.107  -0.772  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        2.706  -3.167  -1.309  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        1.826  -2.094  -1.144  0.00  0.00    +0.004 A 
ENDBRANCH   6   8
BRANCH   5  15
ATOM     15  C   LIG    1        0.457   0.371   2.169  0.00  0.00    +0.012 A 
ATOM     16  S   LIG    1        0.292   2.026   2.617  0.00  0.00    -0.080 S 
ATOM     17  C   LIG    1        0.826   1.712   4.189  0.00  0.00    +0.078 A 
ATOM     18 CL   LIG    1        0.936   2.994   5.326  0.00  0.00    -0.076 Cl
ATOM     19  C   LIG    1        1.137   0.397   4.408  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        0.925  -0.384   3.233  0.00  0.00    +0.014 A 
ENDBRANCH   5  15
BRANCH   1  21
ATOM     21  C   LIG    1       -0.659   2.629  -2.541  0.00  0.00    +0.133 C 
BRANCH  21  23
ATOM     22  O   LIG    1       -1.128   4.657  -1.264  0.00  0.00    -0.251 OA
ATOM     23  C   LIG    1       -1.310   3.953  -2.244  0.00  0.00    +0.305 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.111   4.364  -3.246  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1       -2.486   5.206  -2.914  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH   4  26
ATOM     26  C   LIG    1       -2.363  -0.349   1.007  0.00  0.00    +0.112 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.629  -1.673   0.346  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -4.041  -2.187   0.222  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -3.294  -1.746  -1.006  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 7