REMARK  Name = BDB030213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.644   0.617  -1.179  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.488   1.407  -1.260  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.669   2.142  -0.570  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.721  -0.459  -1.771  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.040   0.696   0.510  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.928   0.302  -0.257  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        1.775   1.102  -0.344  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.735   2.310   0.348  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.643   3.091   0.289  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.826   2.717   1.113  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        2.783   4.213   1.967  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        3.969   1.920   1.194  0.00  0.00    +0.031 A 
BRANCH   5  16
ATOM     13  C   LIG    1        7.666  -1.940  -1.759  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        7.028  -1.423  -0.503  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        5.877  -0.623  -0.570  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        5.242  -0.151   0.593  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1        5.788  -0.513   1.835  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        6.924  -1.321   1.913  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.539  -1.778   0.749  0.00  0.00    +0.003 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1       -1.740   0.720  -1.819  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1       -1.484  -0.199  -2.219  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -2.972   0.500  -0.653  0.00  0.00    +0.046 S 
ATOM     23  O   LIG    1       -2.892   1.628   0.252  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1       -2.863  -0.863  -0.180  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -4.420   0.666  -1.673  0.00  0.00    +0.206 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.716   0.205  -0.998  0.00  0.00    +0.090 C 
ATOM     27  N   LIG    1       -5.817  -1.275  -0.988  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1       -5.046  -1.648  -0.419  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -7.081  -1.693  -0.356  0.00  0.00    +0.096 C 
ATOM     30  C   LIG    1       -7.317  -1.049   1.026  0.00  0.00    +0.096 C 
ATOM     31  N   LIG    1       -7.245   0.422   0.987  0.00  0.00    -0.313 NA
ATOM     32  H   LIG    1       -7.993   0.758   0.380  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -5.954   0.831   0.403  0.00  0.00    +0.101 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6