REMARK  Name = BDB008402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.186  -1.786  -0.047  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -1.152  -1.331  -0.132  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1       -2.196  -2.210   0.153  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -1.923  -3.524   0.541  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -0.605  -3.962   0.634  0.00  0.00    +0.043 A 
ATOM      6 CL   LIG    1       -0.285  -5.585   1.110  0.00  0.00    -0.083 Cl
ATOM      7  C   LIG    1        0.451  -3.102   0.340  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        3.153  -2.012   0.043  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.564  -1.004  -0.325  0.00  0.00    +0.251 C 
ATOM     10  N   LIG    1        1.192  -0.848  -0.373  0.00  0.00    -0.278 N 
ATOM     11  H   LIG    1        0.827   0.065  -0.622  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1        3.285   0.183  -0.784  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        4.444   0.747  -0.149  0.00  0.00    +0.090 A 
ATOM     14  C   LIG    1        4.933   1.863  -0.835  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        6.063   2.546  -0.361  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        6.657   2.071   0.802  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        6.105   0.969   1.427  0.00  0.00    +0.111 A 
ATOM     18  S   LIG    1        3.986   2.210  -2.222  0.00  0.00    -0.094 S 
ATOM     19  N   LIG    1        5.020   0.298   1.001  0.00  0.00    -0.254 NA
ATOM     20  C   LIG    1        2.944   0.894  -1.922  0.00  0.00    +0.061 A 
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   2  21
ATOM     21  O   LIG    1       -1.293  -0.029  -0.536  0.00  0.00    -0.487 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.495   0.722  -0.330  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -2.966   0.816   1.121  0.00  0.00    +0.059 C 
ATOM     24  C   LIG    1       -4.157   1.769   1.223  0.00  0.00    +0.084 C 
ATOM     25  N   LIG    1       -5.161   1.631   0.163  0.00  0.00    -0.316 NA
ATOM     26  H   LIG    1       -5.155   2.464  -0.426  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -4.989   0.441  -0.664  0.00  0.00    +0.084 C 
ATOM     28  C   LIG    1       -3.613   0.389  -1.324  0.00  0.00    +0.059 C 
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 4