REMARK  Name = BDB030144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.227  -0.131  -0.664  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.028   0.557  -0.733  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.174   1.326  -0.088  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.351  -1.248  -1.164  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.712   0.412   0.729  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.599  -0.146   0.075  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.362   0.518   0.044  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.244   1.754   0.677  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.073   2.412   0.671  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.340   2.318   1.328  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.196   3.849   2.108  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.568   1.655   1.356  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.367  -1.085   1.604  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.018  -0.969   1.116  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.116   0.008   1.438  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        5.974  -0.312   0.732  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        6.178  -1.458  -0.003  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        7.412  -1.828   0.248  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.192  -0.275  -1.146  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.885  -1.218  -1.440  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.363  -0.427   0.093  0.00  0.00    +0.048 S 
ATOM     22  O   LIG    1       -2.273   0.774   0.897  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.169  -1.739   0.670  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.882  -0.430  -0.877  0.00  0.00    +0.153 C 
ATOM     25  C   LIG    1       -5.115  -0.779  -0.010  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -6.314  -0.965  -0.942  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -6.587   0.483  -1.346  0.00  0.00    -0.011 C 
ATOM     28  C   LIG    1       -6.549   1.208   0.005  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -5.471   0.973  -2.286  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -5.596   0.381   0.880  0.00  0.00    +0.006 C 
ATOM     31  C   LIG    1       -4.073   0.877  -1.659  0.00  0.00    +0.028 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5