REMARK  Name = BDB049286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.159   0.050   0.457  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.033  -0.893   1.067  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.382  -0.668   0.941  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.990  -1.656   1.657  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        2.084  -2.477   2.139  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.915   0.406   0.223  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.116   1.278  -0.330  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.846  -1.994   1.768  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.755   1.068  -0.205  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.144  -0.238   0.525  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.510   0.980   0.801  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -2.116   1.080   0.780  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.321  -0.036   0.478  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -1.959  -1.258   0.220  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.354  -1.359   0.241  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.655  -0.348   0.569  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -6.114   0.228  -1.744  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -6.338   0.589  -0.342  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -7.773   0.605  -0.056  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        4.278   0.569   0.110  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        4.444   1.524  -0.209  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.018  -0.316  -0.794  0.00  0.00    +0.148 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.491  -0.041  -0.801  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        7.489  -0.628  -0.049  0.00  0.00    +0.053 A 
ATOM     25 CL   LIG    1        7.270  -1.863   1.115  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        8.775  -0.090  -0.339  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        8.721   0.895  -1.300  0.00  0.00    +0.047 A 
ATOM     28  S   LIG    1        7.124   1.166  -1.846  0.00  0.00    -0.099 S 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6