REMARK  Name = BDB030045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.483   0.571   1.031  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -0.699  -0.504   0.582  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.341  -1.024   1.369  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        0.591  -0.461   2.619  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1        1.588  -0.929   3.387  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -0.188   0.600   3.079  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1        0.118   1.300   4.624  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -1.220   1.117   2.293  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -5.490   2.895  -0.749  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1       -4.284   2.120  -0.613  0.00  0.00    -0.339 N 
ATOM     11  C   LIG    1       -3.588   1.894   0.542  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1       -2.524   1.099   0.167  0.00  0.00    +0.089 A 
ATOM     13  N   LIG    1       -2.569   0.850  -1.186  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1       -3.638   1.475  -1.625  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1        1.149  -2.141   0.820  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1        2.346  -2.442   1.450  0.00  0.00    -0.228 N 
ATOM     17  H   LIG    1        2.761  -1.795   2.124  0.00  0.00    +0.171 HD
ATOM     18  O   LIG    1        0.791  -2.744  -0.191  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1        3.343  -3.228   0.600  0.00  0.00    -0.106 NA
ATOM     20  H   LIG    1        2.862  -3.788  -0.117  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.567  -2.282  -0.141  0.00  0.00    +0.091 S 
ATOM     22  O   LIG    1        5.324  -3.150  -1.018  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        5.191  -1.468   0.881  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.801  -1.121  -1.212  0.00  0.00    +0.202 A 
ATOM     25  N   LIG    1        2.865  -0.195  -0.736  0.00  0.00    -0.228 NA
ATOM     26  C   LIG    1        2.423   0.525  -1.743  0.00  0.00    +0.158 A 
ATOM     27  S   LIG    1        3.098   0.176  -3.281  0.00  0.00    -0.082 S 
ATOM     28  C   LIG    1        4.057  -1.053  -2.568  0.00  0.00    +0.095 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   3  15
TORSDOF 5