REMARK  Name = BDB030176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.324  -0.206   0.483  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        2.161   0.295  -0.128  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.920   0.264   0.530  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        0.850  -0.274   1.813  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1       -0.323  -0.322   2.467  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1        1.997  -0.771   2.431  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1        1.912  -1.433   4.020  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1        3.228  -0.740   1.774  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        8.053  -0.766  -0.931  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1        6.663  -0.397  -0.858  0.00  0.00    -0.339 N 
ATOM     11  C   LIG    1        5.786  -0.721   0.140  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1        4.587  -0.150  -0.236  0.00  0.00    +0.089 A 
ATOM     13  N   LIG    1        4.733   0.506  -1.438  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1        5.989   0.340  -1.785  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1       -0.270   0.809  -0.177  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -1.476   0.823   0.502  0.00  0.00    -0.228 N 
ATOM     17  H   LIG    1       -1.625   0.228   1.322  0.00  0.00    +0.171 HD
ATOM     18  O   LIG    1       -0.183   1.225  -1.331  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1       -2.722   1.050  -0.366  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -2.432   1.295  -1.328  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.765  -0.310  -0.425  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -3.635  -0.982   0.853  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -3.479  -0.984  -1.673  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.356   0.518  -0.532  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.386  -0.566  -0.647  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -7.035  -1.155   0.580  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -7.827  -0.254  -0.326  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   3  15
TORSDOF 6