REMARK  Name = BDB030005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.876   0.650  -0.676  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.619   0.521  -1.238  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.414  -0.229  -1.904  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        2.058   1.301   0.352  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.411  -0.513  -1.368  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.294   0.102  -0.783  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.013  -0.034  -1.347  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.857  -0.796  -2.505  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.642  -0.946  -3.058  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.959  -1.411  -3.095  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.768  -2.350  -4.527  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.228  -1.271  -2.533  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.302   0.591   1.515  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.456   0.094   0.460  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.102   0.256   0.362  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.747  -0.389  -0.805  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        7.862  -0.932  -1.404  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        8.871  -0.626  -0.620  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.556   0.926  -0.339  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.200   1.410   0.503  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.526  -0.399   0.149  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.486  -1.363  -0.932  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.105  -0.733   1.490  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.129   0.384   0.197  0.00  0.00    +0.194 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.281  -0.627   0.326  0.00  0.00    +0.042 C 
ATOM     26  C   LIG    1       -5.599   0.104   0.105  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1       -6.436   0.459   1.180  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1       -7.623   1.164   0.924  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.975   1.521  -0.377  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.151   1.168  -1.440  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.144   0.036   2.599  0.00  0.00    +0.035 C 
ATOM     32  C   LIG    1       -4.727  -0.487   2.815  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1       -5.972   0.463  -1.202  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -4.307  -1.390   1.662  0.00  0.00    +0.010 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6