REMARK  Name = BDB029815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.327   0.620  -0.912  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.007   0.974  -1.021  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.416   1.684  -0.407  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.748  -0.437  -1.379  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.516   2.055   0.555  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -3.597   1.212  -0.095  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.239   1.556  -0.204  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -1.801   2.757   0.351  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.509   3.113   0.269  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -2.701   3.599   1.004  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -2.161   5.082   1.694  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.051   3.254   1.108  0.00  0.00    +0.033 A 
BRANCH   5  17
ATOM     13  C   LIG    1       -8.307  -1.107   0.411  0.00  0.00    +0.073 C 
ATOM     14  C   LIG    1       -7.583   0.184   0.563  0.00  0.00    +0.076 A 
ATOM     15  S   LIG    1       -8.450   1.621   0.922  0.00  0.00    -0.080 S 
ATOM     16  C   LIG    1       -6.975   2.497   0.911  0.00  0.00    +0.075 A 
ATOM     17  C   LIG    1       -5.917   1.649   0.644  0.00  0.00    +0.078 A 
ATOM     18  N   LIG    1       -6.282   0.327   0.438  0.00  0.00    -0.244 NA
ENDBRANCH   5  17
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        0.962  -0.157  -1.427  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.416  -0.994  -1.692  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.071  -0.582  -0.193  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.553  -1.777   0.432  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.335   0.627   0.560  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.499  -1.002  -1.188  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.662  -1.552  -0.356  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1        5.749  -2.134  -1.265  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        6.895  -2.729  -0.445  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        7.024  -2.146   0.852  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        6.762  -0.749   0.852  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        5.283  -0.490   0.570  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6