REMARK  Name = BDB018194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.553  -0.955  -0.762  0.00  0.00    +0.041 A 
ATOM      2  S   LIG    1        0.554  -0.379   0.517  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1       -0.818  -0.988  -0.292  0.00  0.00    +0.165 A 
ATOM      4  N   LIG    1       -0.607  -1.575  -1.438  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        0.748  -1.568  -1.707  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.007   0.545  -0.343  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        3.610   0.416  -0.357  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        3.010  -0.797  -0.732  0.00  0.00    -0.009 A 
ATOM      9  C   LIG    1        3.834  -1.874  -1.093  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.226  -1.753  -1.062  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.811  -0.547  -0.682  0.00  0.00    +0.013 A 
BRANCH   6  15
ATOM     12  C   LIG    1        5.595   4.263   0.004  0.00  0.00    +0.128 C 
ATOM     13  N   LIG    1        4.980   2.979  -0.227  0.00  0.00    -0.314 N 
ATOM     14  H   LIG    1        4.213   2.940  -0.884  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        5.671   1.817   0.052  0.00  0.00    +0.244 C 
ATOM     16  O   LIG    1        6.786   1.796   0.561  0.00  0.00    -0.270 OA
ENDBRANCH   6  15
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  N   LIG    1       -1.994  -0.773   0.367  0.00  0.00    -0.262 N 
ATOM     18  H   LIG    1       -1.942  -0.326   1.273  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1       -3.204  -1.263  -0.086  0.00  0.00    +0.257 C 
ATOM     20  O   LIG    1       -3.398  -1.918  -1.104  0.00  0.00    -0.272 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.346  -0.818   0.818  0.00  0.00    +0.204 C 
ATOM     22  C   LIG    1       -5.568  -1.731   0.748  0.00  0.00    +0.166 C 
ATOM     23  N   LIG    1       -6.745  -0.839   1.024  0.00  0.00    -0.266 N 
ATOM     24  C   LIG    1       -6.253   0.561   1.091  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.899   0.534   0.399  0.00  0.00    +0.071 C 
ATOM     26  F   LIG    1       -3.929  -0.707   2.120  0.00  0.00    -0.230 F 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.889  -1.261   1.577  0.00  0.00    +0.169 C 
ATOM     28  N   LIG    1       -8.873  -1.622   2.067  0.00  0.00    -0.174 NA
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH   3  17
TORSDOF 5