REMARK  Name = BDB029911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.080  -2.524  -0.807  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.021  -2.898  -1.608  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.794  -3.895  -1.628  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        2.771  -3.358  -0.227  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.946   0.717   0.910  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.671  -0.637   0.675  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.372  -1.089  -0.620  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.386  -0.200  -1.691  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        2.167  -0.634  -2.944  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.647   1.149  -1.465  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        2.635   2.269  -2.775  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        2.923   1.607  -0.175  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        3.801   1.151   5.785  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        3.630   1.412   4.379  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        3.284   0.505   3.417  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        3.255   1.224   2.239  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        3.573   2.543   2.482  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        3.794   2.623   3.774  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.154  -1.968  -1.855  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.302  -1.250  -1.120  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.619  -2.727  -2.241  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.300  -4.099  -2.584  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.558  -2.440  -1.181  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.118  -1.892  -3.738  0.00  0.00    +0.193 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.486  -0.413  -3.656  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -1.461   0.612  -3.149  0.00  0.00    +0.116 C 
ATOM     27  N   LIG    1       -2.300   0.762  -1.960  0.00  0.00    -0.285 N 
ATOM     28  C   LIG    1       -1.889   0.582  -0.661  0.00  0.00    +0.305 C 
ATOM     29  N   LIG    1       -2.853   0.695   0.293  0.00  0.00    -0.285 N 
ATOM     30  C   LIG    1       -2.689   0.743   1.733  0.00  0.00    +0.111 C 
ATOM     31  C   LIG    1       -3.897   1.683   1.759  0.00  0.00    +0.038 C 
ATOM     32  C   LIG    1       -4.156   1.328   0.292  0.00  0.00    +0.111 C 
ATOM     33  O   LIG    1       -0.720   0.300  -0.392  0.00  0.00    -0.252 OA
ATOM     34  C   LIG    1       -3.459   0.129  -2.590  0.00  0.00    +0.116 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6