REMARK  Name = BDB003743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.942   1.258  -0.456  0.00  0.00    +0.019 C 
ATOM      2  C   LIG    1       -0.429   0.017   0.279  0.00  0.00    +0.093 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.698  -0.712  -0.460  0.00  0.00    +0.220 C 
ATOM      4  N   LIG    1        1.868  -0.026  -0.743  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        2.271   1.234  -0.105  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1        3.756   1.607  -0.316  0.00  0.00    +0.124 C 
ATOM      7  N   LIG    1        4.637   0.465  -0.023  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1        4.202  -0.855  -0.543  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1        2.950  -0.739  -1.432  0.00  0.00    +0.126 C 
ATOM     10  O   LIG    1        0.569  -1.900  -0.754  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1        5.987   0.647   0.267  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        6.637   1.881   0.101  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        7.992   2.040   0.413  0.00  0.00    +0.043 A 
ATOM     14 CL   LIG    1        8.744   3.573   0.180  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1        8.739   0.978   0.905  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        8.122  -0.253   1.089  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        6.766  -0.409   0.776  0.00  0.00    +0.023 A 
ENDBRANCH   7  11
ENDBRANCH   2   3
BRANCH   2  18
ATOM     18  C   LIG    1       -1.571  -0.950   0.635  0.00  0.00    +0.184 C 
BRANCH  18  19
ATOM     19  S   LIG    1       -2.439  -1.690  -0.757  0.00  0.00    -0.002 S 
ATOM     20  O   LIG    1       -2.304  -0.856  -1.936  0.00  0.00    -0.169 OA
ATOM     21  O   LIG    1       -2.182  -3.115  -0.804  0.00  0.00    -0.169 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.149  -1.538  -0.249  0.00  0.00    +0.090 A 
ATOM     23  C   LIG    1       -4.937  -0.505  -0.764  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1       -6.272  -0.393  -0.364  0.00  0.00    +0.049 A 
ATOM     25  N   LIG    1       -7.032   0.649  -0.913  0.00  0.00    -0.284 N 
ATOM     26  H   LIG    1       -6.658   1.179  -1.692  0.00  0.00    +0.155 HD
ATOM     27  C   LIG    1       -8.289   1.027  -0.529  0.00  0.00    +0.227 C 
ATOM     28  C   LIG    1       -8.873   0.453   0.741  0.00  0.00    +0.170 C 
ATOM     29  S   LIG    1       -8.544  -1.307   0.968  0.00  0.00    -0.114 S 
ATOM     30  O   LIG    1       -8.866   1.916  -1.159  0.00  0.00    -0.275 OA
ATOM     31  C   LIG    1       -6.822  -1.331   0.523  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1       -6.025  -2.376   1.008  0.00  0.00    +0.018 A 
ATOM     33  C   LIG    1       -4.686  -2.482   0.627  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 5