REMARK  Name = BDB002283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.149  -0.035   0.602  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        1.411   0.308   0.896  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        2.476   0.106  -0.120  0.00  0.00    +0.187 C 
ATOM      4  O   LIG    1        2.286  -0.555  -1.136  0.00  0.00    -0.287 OA
BRANCH   3   5
ATOM      5  C   LIG    1        3.816   0.697   0.142  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        3.990   1.864   0.901  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        5.274   2.379   1.105  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        6.373   1.735   0.546  0.00  0.00    +0.123 A 
ATOM      9  F   LIG    1        7.599   2.234   0.744  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        6.215   0.588  -0.222  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        4.935   0.070  -0.429  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
ENDBRANCH   2   3
BRANCH   1  12
ATOM     12  S   LIG    1       -1.120   0.169   1.767  0.00  0.00    -0.058 S 
BRANCH  12  16
ATOM     13  C   LIG    1       -3.852   0.177  -2.565  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1       -3.727  -0.298  -1.149  0.00  0.00    +0.043 A 
ATOM     15  N   LIG    1       -2.640   0.096  -0.458  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1       -2.533  -0.342   0.809  0.00  0.00    +0.193 A 
ATOM     17  N   LIG    1       -3.433  -1.122   1.431  0.00  0.00    -0.227 NA
ATOM     18  C   LIG    1       -4.510  -1.499   0.715  0.00  0.00    +0.043 A 
ATOM     19  C   LIG    1       -5.517  -2.375   1.396  0.00  0.00    +0.066 C 
ATOM     20  C   LIG    1       -4.701  -1.106  -0.596  0.00  0.00    +0.046 A 
ENDBRANCH  12  16
ENDBRANCH   1  12
TORSDOF 4