REMARK  Name = BDB035265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.173   1.248  -2.760  0.00  0.00    +0.075 S 
ATOM      2  O   LIG    1        0.054   2.674  -2.886  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.020   0.369  -3.890  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  11
ATOM      4  O   LIG    1        4.258  -0.277   3.743  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1        3.518   0.155   2.864  0.00  0.00    +0.218 C 
ATOM      6  N   LIG    1        3.147  -0.630   1.804  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1        3.482  -1.586   1.834  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        2.363  -0.189   0.735  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        2.069   1.175   0.610  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1        1.296   1.617  -0.471  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        0.809   0.689  -1.401  0.00  0.00    +0.144 A 
ATOM     12  C   LIG    1        1.131  -0.658  -1.278  0.00  0.00    +0.152 A 
ATOM     13  F   LIG    1        0.692  -1.568  -2.156  0.00  0.00    -0.203 F 
ATOM     14  C   LIG    1        2.690   2.148   1.574  0.00  0.00    +0.046 C 
ATOM     15  C   LIG    1        1.908  -1.104  -0.211  0.00  0.00    +0.064 A 
ATOM     16  C   LIG    1        2.876   1.521   2.946  0.00  0.00    +0.101 C 
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.752   1.110  -2.187  0.00  0.00    -0.214 N 
ATOM     18  H   LIG    1       -2.150   1.979  -1.843  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.227  -0.133  -1.701  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -2.453  -0.331  -0.329  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -2.868  -1.567   0.201  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -2.971  -1.377   1.615  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1       -2.624  -0.077   1.902  0.00  0.00    +0.103 A 
ATOM     24 CL   LIG    1       -3.429  -2.521   2.788  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1       -3.061  -2.620  -0.724  0.00  0.00    +0.052 A 
ATOM     26 CL   LIG    1       -3.564  -4.140  -0.128  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -2.842  -2.442  -2.092  0.00  0.00    +0.022 A 
ATOM     28  N   LIG    1       -2.315   0.544   0.727  0.00  0.00    -0.358 N 
ATOM     29  H   LIG    1       -2.022   1.508   0.641  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -2.423  -1.207  -2.572  0.00  0.00    +0.028 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3