REMARK  Name = BDB030172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.214   0.184   0.371  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.074   0.885   0.015  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.105   1.591  -0.726  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.140  -0.889   0.968  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.973   0.579   0.077  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.696   0.087   0.398  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.532   0.762  -0.003  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.654   1.942  -0.733  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.560   2.609  -1.136  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.915   2.442  -1.057  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.067   3.904  -1.957  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.071   1.768  -0.656  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.621  -1.022   0.798  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.191  -0.857   0.833  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.465   0.100   0.180  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.151  -0.154   0.517  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        6.080  -1.242   1.357  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        7.320  -1.641   1.528  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.240   0.094   0.100  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.055  -0.829   0.531  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.001  -0.130  -1.414  0.00  0.00    +0.049 S 
ATOM     22  O   LIG    1       -1.776  -1.506  -1.795  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.571   0.971  -2.254  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.727   0.106  -0.980  0.00  0.00    +0.163 C 
ATOM     25  C   LIG    1       -4.212  -0.971  -0.012  0.00  0.00    +0.112 C 
ATOM     26  N   LIG    1       -5.611  -0.790   0.427  0.00  0.00    -0.293 NA
ATOM     27  C   LIG    1       -6.438  -0.020  -0.514  0.00  0.00    +0.085 C 
ATOM     28  C   LIG    1       -6.043  -0.284  -1.966  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -4.598   0.136  -2.244  0.00  0.00    +0.030 C 
BRANCH  26  30
ATOM     30  C   LIG    1       -5.700  -0.262   1.815  0.00  0.00    +0.198 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -7.095  -0.080   2.452  0.00  0.00    +0.402 C 
ATOM     32  F   LIG    1       -6.971   0.281   3.752  0.00  0.00    -0.169 F 
ATOM     33  F   LIG    1       -7.801   0.895   1.835  0.00  0.00    -0.169 F 
ATOM     34  F   LIG    1       -7.825  -1.215   2.413  0.00  0.00    -0.169 F 
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7