REMARK  Name = BDB029852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.371  -0.568  -0.300  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.571   0.021  -0.660  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.618   1.025  -0.850  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.341  -1.650   0.284  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.335   0.173  -0.613  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.112  -0.458  -0.327  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        0.885   0.155  -0.632  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        0.891   1.414  -1.231  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.265   2.029  -1.530  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.098   2.049  -1.521  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        2.106   3.603  -2.265  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        3.315   1.436  -1.217  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.113  -0.945   0.165  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        6.677  -0.994   0.063  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        5.857   0.016  -0.358  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        4.580  -0.503  -0.281  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        4.625  -1.800   0.178  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.896  -2.066   0.375  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.824  -0.570   0.011  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -2.573  -1.448   0.495  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.547   0.479   1.156  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -3.165   1.834   0.807  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -3.285  -0.074   2.466  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.265   0.267   0.776  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1       -6.053  -0.575   1.566  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -7.409  -0.719   1.271  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -7.970  -0.019   0.201  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.180   0.829  -0.577  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.824   0.979  -0.289  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5