REMARK  Name = BDB029748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.023  -1.358   0.891  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.953  -1.643   1.835  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.762  -1.422   2.815  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.222  -1.219  -0.306  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.769  -0.796   0.817  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.429  -0.950   0.429  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.422  -1.203   1.377  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.769  -1.301   2.724  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.826  -1.538   3.652  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.096  -1.151   3.123  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.524  -1.275   4.787  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.090  -0.901   2.178  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        6.352   0.079  -3.334  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        5.965  -0.149  -1.966  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        4.696  -0.372  -1.508  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        4.829  -0.534  -0.145  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        6.152  -0.413   0.219  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        6.808  -0.182  -0.895  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.386  -1.438   1.411  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -3.046  -2.191   1.627  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.046   0.100   1.692  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1       -2.083   0.826   2.497  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -4.388  -0.137   2.176  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.082   0.803   0.025  0.00  0.00    +0.149 C 
ATOM     25  C   LIG    1       -3.857  -0.054  -0.982  0.00  0.00    +0.028 C 
ATOM     26  C   LIG    1       -5.374   0.098  -0.888  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -5.804   1.559  -0.917  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -5.096   2.379   0.154  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -3.578   2.254   0.049  0.00  0.00    +0.028 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5