REMARK  Name = BDB065402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.603  -2.119  -1.504  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1        2.125  -2.314  -0.232  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1        2.747  -2.791   0.708  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.704  -1.873  -0.146  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.045  -1.929   1.020  0.00  0.00    +0.035 C 
ATOM      6  S   LIG    1        0.181  -1.298  -1.680  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1        1.737  -1.605  -2.427  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1        1.954  -1.387  -3.608  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.305  -1.524   1.230  0.00  0.00    +0.017 A 
ATOM     10  S   LIG    1       -1.703  -0.730   2.705  0.00  0.00    -0.052 S 
ATOM     11  C   LIG    1       -3.359  -0.563   2.296  0.00  0.00    +0.160 A 
ATOM     12  C   LIG    1       -3.607  -1.121   1.058  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1       -2.440  -1.679   0.456  0.00  0.00    +0.019 A 
BRANCH  11  14
ATOM     14  O   LIG    1       -4.157   0.058   3.177  0.00  0.00    -0.481 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -5.559   0.081   2.904  0.00  0.00    +0.265 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.965   1.155   1.919  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1       -7.055   0.943   1.062  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -7.457   1.936   0.166  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -6.783   3.154   0.126  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.708   3.384   0.983  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.306   2.392   1.879  0.00  0.00    +0.007 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   5   9
BRANCH   1  22
ATOM     22  C   LIG    1        3.974  -2.425  -1.853  0.00  0.00    +0.152 C 
BRANCH  22  27
ATOM     23  C   LIG    1        7.368   2.235  -0.988  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        6.523   1.018  -1.220  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1        6.298   0.102  -0.187  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.485  -1.015  -0.394  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.879  -1.233  -1.638  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        5.088  -0.303  -2.665  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        5.901   0.813  -2.457  0.00  0.00    +0.003 A 
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 6