REMARK  Name = BDB030065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.344  -0.464  -0.624  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.569   0.169  -0.749  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.657   1.170  -0.554  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.269  -1.683  -0.480  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.328   0.484  -0.618  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.132  -0.255  -0.594  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        0.880   0.379  -0.655  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        0.832   1.769  -0.739  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.349   2.406  -0.791  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.011   2.514  -0.765  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        1.952   4.233  -0.873  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        3.253   1.879  -0.705  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.154  -0.657  -0.312  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        6.719  -0.720  -0.420  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        5.857   0.342  -0.444  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        4.601  -0.218  -0.556  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        4.697  -1.591  -0.599  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.980  -1.861  -0.516  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.793  -0.680  -0.360  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -2.501  -1.664  -0.236  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.557  -0.165   1.082  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -3.291  -1.167   2.089  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -3.224   1.232   1.281  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.262  -0.264   0.616  0.00  0.00    +0.108 A 
ATOM     25  C   LIG    1       -5.813   0.757  -0.163  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -7.159   0.688  -0.514  0.00  0.00    +0.043 A 
ATOM     27 CL   LIG    1       -7.854   1.930  -1.479  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -7.950  -0.381  -0.088  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -7.394  -1.392   0.699  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -6.047  -1.335   1.057  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5