REMARK  Name = BDB053871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.549   1.875  -0.113  0.00  0.00    +0.094 A 
ATOM      2  N   LIG    1       -0.520   3.093   0.524  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1        0.622   3.150   1.260  0.00  0.00    +0.179 A 
ATOM      4  S   LIG    1        0.741   4.641   2.138  0.00  0.00    -0.042 S 
ATOM      5  C   LIG    1       -0.811   5.124   1.441  0.00  0.00    +0.075 A 
ATOM      6 BR   LIG    1       -1.562   6.753   1.864  0.00  0.00    -0.041 Br
ATOM      7  N   LIG    1        1.367   2.091   1.153  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1       -1.336   4.199   0.620  0.00  0.00    +0.116 A 
ATOM      9  C   LIG    1        0.672   1.296   0.253  0.00  0.00    +0.099 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.222   0.022  -0.188  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        1.909  -0.779   0.739  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.424  -2.024   0.365  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        2.261  -2.469  -0.952  0.00  0.00    +0.126 A 
ATOM     14  C   LIG    1        1.603  -1.670  -1.895  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        1.094  -0.424  -1.511  0.00  0.00    +0.012 A 
BRANCH  13  16
ATOM     16  N   LIG    1        2.798  -3.775  -1.352  0.00  0.00    +0.056 N 
ATOM     17  O   LIG    1        3.317  -4.479  -0.473  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1        2.718  -4.091  -2.548  0.00  0.00    -0.126 OA
ENDBRANCH  13  16
ENDBRANCH   9  10
BRANCH   1  20
ATOM     19  N   LIG    1       -2.205   0.283  -1.008  0.00  0.00    -0.177 NA
ATOM     20  C   LIG    1       -1.634   1.449  -0.953  0.00  0.00    +0.161 C 
BRANCH  19  21
ATOM     21  N   LIG    1       -1.822  -0.677  -0.115  0.00  0.00    -0.247 N 
ATOM     22  H   LIG    1       -1.390  -0.404   0.762  0.00  0.00    +0.192 HD
BRANCH  21  25
ATOM     23  N   LIG    1       -1.714  -2.931   0.574  0.00  0.00    -0.267 NA
ATOM     24  H   LIG    1       -1.319  -2.507   1.414  0.00  0.00    +0.190 HD
ATOM     25  C   LIG    1       -2.004  -2.020  -0.287  0.00  0.00    +0.208 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.528  -2.372  -1.481  0.00  0.00    -0.369 N 
ATOM     27  H   LIG    1       -2.940  -3.296  -1.460  0.00  0.00    +0.159 HD
ATOM     28  H   LIG    1       -3.130  -1.647  -1.855  0.00  0.00    +0.159 HD
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  20
TORSDOF 6