REMARK  Name = BDB009658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.386  -1.466  -0.572  0.00  0.00    -0.170 NA
ATOM      2  S   LIG    1        1.994  -1.518  -0.011  0.00  0.00    +0.039 S 
ATOM      3  O   LIG    1        1.951  -1.808   1.408  0.00  0.00    -0.157 OA
ATOM      4  O   LIG    1        2.783  -2.338  -0.903  0.00  0.00    -0.157 OA
ATOM      5  C   LIG    1        2.522   0.212  -0.220  0.00  0.00    +0.112 C 
ATOM      6  C   LIG    1        2.475   0.578  -1.714  0.00  0.00    +0.037 C 
ATOM      7  C   LIG    1        1.568   1.062   0.640  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1        0.080   0.950   0.242  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -0.506  -0.510   0.198  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -0.737   1.864   1.162  0.00  0.00    -0.041 A 
ATOM     11  C   LIG    1       -1.426   2.961   0.620  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.191   3.790   1.442  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -3.036   5.124   0.758  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -2.278   3.545   2.809  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.595   2.462   3.361  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -0.831   1.626   2.544  0.00  0.00    +0.004 A 
ENDBRANCH   8  10
BRANCH   9  17
ATOM     17  C   LIG    1       -1.922  -0.418  -0.398  0.00  0.00    -0.028 A 
ATOM     18  C   LIG    1       -3.046  -0.608   0.424  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -4.335  -0.506  -0.103  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.511  -0.217  -1.454  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -6.101  -0.095  -2.102  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -3.410  -0.028  -2.285  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.120  -0.127  -1.760  0.00  0.00    +0.006 A 
ENDBRANCH   9  17
BRANCH   1  25
ATOM     24  C   LIG    1        0.141  -3.277  -2.267  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -0.253  -2.812  -0.866  0.00  0.00    +0.074 C 
ATOM     26  C   LIG    1        0.026  -3.878   0.191  0.00  0.00    +0.025 C 
ENDBRANCH   1  25
BRANCH   5  27
ATOM     27  C   LIG    1        3.975   0.269   0.320  0.00  0.00    +0.151 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.653   1.613   0.238  0.00  0.00    +0.307 C 
ATOM     29  O   LIG    1        4.141   2.647  -0.156  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        5.935   1.567   0.668  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        6.235   0.684   0.958  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6