REMARK  Name = BDB055816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.447   0.027   0.824  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -2.040   1.289   0.654  0.00  0.00    +0.157 A 
ATOM      3  C   LIG    1       -1.281   2.340   0.123  0.00  0.00    +0.086 A 
ATOM      4 CL   LIG    1       -1.947   3.923  -0.066  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1        0.035   2.128  -0.293  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.599   0.859  -0.175  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -0.128  -0.184   0.400  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -2.000  -2.478   0.953  0.00  0.00    +0.092 C 
ATOM      9  C   LIG    1       -2.171  -1.083   1.496  0.00  0.00    +0.164 C 
ATOM     10  O   LIG    1       -2.869  -0.856   2.480  0.00  0.00    -0.292 OA
ENDBRANCH   1   9
BRANCH   6  11
ATOM     11  N   LIG    1        1.962   0.636  -0.567  0.00  0.00    -0.216 N 
ATOM     12  H   LIG    1        2.254   1.310  -1.280  0.00  0.00    +0.174 HD
BRANCH  11  13
ATOM     13  S   LIG    1        3.080   0.768   0.722  0.00  0.00    +0.074 S 
ATOM     14  O   LIG    1        2.625   0.019   1.870  0.00  0.00    -0.150 OA
ATOM     15  O   LIG    1        3.380   2.183   0.811  0.00  0.00    -0.150 OA
BRANCH  13  16
ATOM     16  C   LIG    1        4.510  -0.048   0.066  0.00  0.00    +0.127 A 
ATOM     17  C   LIG    1        4.495  -1.404  -0.271  0.00  0.00    +0.069 A 
ATOM     18 CL   LIG    1        3.109  -2.422  -0.122  0.00  0.00    -0.081 Cl
ATOM     19  C   LIG    1        5.657  -2.003  -0.775  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        6.820  -1.252  -0.935  0.00  0.00    +0.042 A 
ATOM     21 CL   LIG    1        8.239  -1.997  -1.557  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        6.840   0.099  -0.597  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        5.687   0.703  -0.094  0.00  0.00    +0.032 A 
ENDBRANCH  13  16
ENDBRANCH  11  13
ENDBRANCH   6  11
BRANCH   2  24
ATOM     24  O   LIG    1       -3.337   1.542   1.041  0.00  0.00    -0.452 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -4.331   0.985   0.271  0.00  0.00    +0.148 A 
ATOM     26  C   LIG    1       -5.446   0.485   0.940  0.00  0.00    +0.069 A 
ATOM     27  C   LIG    1       -6.481  -0.078   0.204  0.00  0.00    +0.063 A 
ATOM     28 CL   LIG    1       -7.866  -0.721   0.989  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -6.368  -0.113  -1.179  0.00  0.00    +0.131 A 
ATOM     30  N   LIG    1       -5.305   0.379  -1.863  0.00  0.00    -0.258 NA
ATOM     31  C   LIG    1       -4.316   0.930  -1.119  0.00  0.00    +0.157 A 
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 6