REMARK  Name = BDB003107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.304  -0.701   1.025  0.00  0.00    +0.181 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -3.461  -0.330  -0.337  0.00  0.00    +0.129 A 
ATOM      3  N   LIG    1       -2.210  -0.882  -0.101  0.00  0.00    -0.328 N 
ATOM      4  C   LIG    1       -1.937  -1.797  -1.104  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -3.000  -1.846  -1.950  0.00  0.00    +0.038 A 
ATOM      6  S   LIG    1       -2.767  -2.970  -3.245  0.00  0.00    -0.095 S 
ATOM      7  C   LIG    1       -1.216  -3.365  -2.618  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -0.880  -2.678  -1.471  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -3.980  -0.937  -1.478  0.00  0.00    +0.050 A 
BRANCH   2  10
ATOM     10  C   LIG    1       -4.176   0.684   0.423  0.00  0.00    +0.356 C 
ATOM     11  O   LIG    1       -5.369   0.933   0.302  0.00  0.00    -0.243 OA
BRANCH  10  13
ATOM     12  C   LIG    1       -3.975   2.389   2.011  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1       -3.338   1.358   1.255  0.00  0.00    -0.463 OA
ENDBRANCH  10  13
ENDBRANCH   2  10
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  C   LIG    1       -0.046  -0.011   0.628  0.00  0.00    +0.102 A 
ATOM     15  C   LIG    1        0.164   1.224   0.046  0.00  0.00    +0.127 A 
ATOM     16  C   LIG    1       -0.696   2.327  -0.417  0.00  0.00    +0.088 C 
ATOM     17  O   LIG    1        1.511   1.391  -0.109  0.00  0.00    -0.440 OA
ATOM     18  C   LIG    1        2.063   0.241   0.387  0.00  0.00    +0.228 A 
ATOM     19  N   LIG    1        1.177  -0.622   0.844  0.00  0.00    -0.212 NA
BRANCH  18  20
ATOM     20  C   LIG    1        3.518   0.133   0.345  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        4.139  -1.018   0.853  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        5.528  -1.143   0.821  0.00  0.00    +0.042 A 
ATOM     23 CL   LIG    1        6.272  -2.562   1.449  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        6.319  -0.129   0.286  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.716   1.020  -0.222  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.324   1.149  -0.193  0.00  0.00    +0.013 A 
ENDBRANCH  18  20
ENDBRANCH   1  14
TORSDOF 5