REMARK  Name = BDB015356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.140  -1.543  -1.608  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.571  -2.009  -0.436  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1        0.736  -3.424  -0.171  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        2.208  -1.306  -0.568  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        2.340   0.048  -0.882  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        3.615   0.608  -0.987  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        4.769  -0.171  -0.787  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        4.607  -1.535  -0.481  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        3.336  -2.106  -0.374  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        6.111   0.423  -0.902  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        7.048   0.302   0.140  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        8.323   0.867   0.033  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        8.677   1.560  -1.121  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1       10.245   2.256  -1.254  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        7.769   1.693  -2.167  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.494   1.128  -2.056  0.00  0.00    +0.010 A 
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  17
ATOM     17  N   LIG    1        0.001  -1.266   0.973  0.00  0.00    -0.172 N 
ATOM     18  C   LIG    1       -1.354  -1.224   1.360  0.00  0.00    +0.201 C 
ATOM     19  N   LIG    1       -1.556  -1.230   2.639  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1       -0.222  -1.220   3.279  0.00  0.00    +0.166 C 
ATOM     21  C   LIG    1        0.803  -1.508   2.187  0.00  0.00    +0.158 C 
BRANCH  18  22
ATOM     22  N   LIG    1       -2.317  -1.191   0.394  0.00  0.00    -0.300 N 
ATOM     23  C   LIG    1       -3.659  -1.692   0.739  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1       -4.547  -0.583   1.345  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -4.673   0.654   0.525  0.00  0.00    -0.296 NA
ATOM     26  C   LIG    1       -3.301   1.088   0.156  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -2.395   0.003  -0.471  0.00  0.00    +0.123 C 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.495   0.408  -0.682  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1       -5.888   1.757  -1.351  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -7.141   1.799  -0.460  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -6.996   0.276  -0.295  0.00  0.00    +0.019 C 
ENDBRANCH  25  28
ENDBRANCH  18  22
ENDBRANCH   2  17
TORSDOF 5