REMARK  Name = BDB030050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.340  -0.619  -0.346  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.504  -0.183  -0.955  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.537   0.727  -1.421  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.358  -1.498   0.513  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.378   0.102  -0.541  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.136  -0.459  -0.198  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        0.939   0.020  -0.756  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        0.995   1.073  -1.667  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.132   1.559  -2.213  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.221   1.637  -2.016  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        2.291   2.938  -3.146  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        3.408   1.158  -1.460  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.072  -0.644   0.909  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        6.652  -0.757   0.698  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        5.868   0.086  -0.040  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        4.592  -0.430   0.061  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        4.601  -1.562   0.844  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.850  -1.733   1.211  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.811  -0.600  -0.261  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -2.607  -1.305   0.469  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.645   0.703   0.475  0.00  0.00    +0.075 S 
ATOM     22  O   LIG    1       -3.248   1.895  -0.252  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -3.471   0.613   1.907  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.331   0.349   0.081  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1       -5.953  -0.822   0.517  0.00  0.00    +0.067 A 
ATOM     26 CL   LIG    1       -5.165  -2.047   1.444  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -7.295  -1.049   0.187  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -8.009  -0.116  -0.568  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -7.386   1.052  -0.999  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -6.050   1.288  -0.676  0.00  0.00    +0.030 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5