REMARK  Name = BDB028676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.485  -0.750  -0.598  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -0.444   0.127  -0.238  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -0.600   0.954   0.857  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        0.522   1.704   1.018  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1        1.438   1.382   0.030  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1       -1.735   0.997   1.661  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.778   0.123   1.314  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        0.851   0.447  -0.722  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1       -2.642  -0.738   0.203  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -2.418  -2.255  -2.186  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -1.283  -1.552  -1.688  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1        1.428  -0.160  -1.826  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1        0.906  -0.888  -2.311  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.918   0.203  -2.460  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        3.035   1.630  -2.665  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        3.116  -0.716  -3.563  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        4.040  -0.292  -1.177  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.330  -1.647  -1.014  0.00  0.00    +0.067 A 
ATOM     19  C   LIG    1        5.220  -2.023  -0.018  0.00  0.00    +0.126 A 
ATOM     20  F   LIG    1        5.494  -3.322   0.162  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        5.831  -1.076   0.801  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        5.566   0.287   0.620  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        6.194   1.313   1.516  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        4.658   0.676  -0.374  0.00  0.00    +0.032 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  25
ATOM     25  C   LIG    1       -4.049   0.099   2.135  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -5.188   0.594   1.373  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1       -6.013  -0.274   0.749  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1       -6.929   0.515   0.181  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1       -6.699   1.878   0.440  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -5.566   1.899   1.220  0.00  0.00    +0.108 A 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 6