REMARK  Name = BDB065200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.824  -3.203   0.426  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -0.152  -2.060   0.360  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1       -1.508  -2.242   0.008  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.437  -1.198  -0.069  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -3.687  -1.780  -0.443  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -3.500  -3.132  -0.590  0.00  0.00    +0.083 A 
ATOM      7  C   LIG    1       -2.019   0.122   0.226  0.00  0.00    -0.008 A 
ATOM      8  C   LIG    1       -0.680   0.329   0.597  0.00  0.00    +0.022 A 
ATOM      9  N   LIG    1       -2.189  -3.401  -0.314  0.00  0.00    -0.360 N 
ATOM     10  H   LIG    1       -1.777  -4.324  -0.332  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1        0.236  -0.731   0.661  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.974   1.233   0.159  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1       -3.532   1.632  -1.067  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -4.435   2.698  -1.132  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.786   3.377   0.032  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -5.898   4.688  -0.046  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -4.243   3.001   1.257  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -3.340   1.935   1.319  0.00  0.00    +0.010 A 
ENDBRANCH   7  12
BRANCH  11  19
ATOM     19  C   LIG    1        1.643  -0.420   1.053  0.00  0.00    +0.264 C 
ATOM     20  N   LIG    1        2.155   0.736   0.458  0.00  0.00    -0.171 N 
ATOM     21  H   LIG    1        1.663   1.202  -0.296  0.00  0.00    +0.178 HD
ATOM     22  O   LIG    1        2.271  -1.146   1.807  0.00  0.00    -0.269 OA
BRANCH  20  23
ATOM     23  S   LIG    1        3.610   1.444   0.755  0.00  0.00    +0.114 S 
ATOM     24  O   LIG    1        4.074   1.166   2.090  0.00  0.00    -0.138 OA
ATOM     25  O   LIG    1        3.459   2.805   0.289  0.00  0.00    -0.138 OA
BRANCH  23  26
ATOM     26  N   LIG    1        4.606   0.643  -0.361  0.00  0.00    -0.170 NA
ATOM     27  C   LIG    1        5.883   1.360  -0.599  0.00  0.00    +0.132 C 
ATOM     28  C   LIG    1        4.851  -0.789  -0.068  0.00  0.00    +0.132 C 
ENDBRANCH  23  26
ENDBRANCH  20  23
ENDBRANCH  11  19
TORSDOF 4