REMARK  Name = BDB021218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.104  -0.398  -0.180  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.276   0.140  -1.211  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.079  -0.112  -1.115  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.674   0.441  -2.225  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.646   1.018  -2.933  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.645  -0.847  -0.059  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.879  -1.356   0.865  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.555   0.848  -2.291  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.476  -1.105   0.786  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.340   0.210   0.077  0.00  0.00    +0.105 A 
ATOM     11  C   LIG    1        4.825  -1.081   0.206  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        3.443  -1.282   0.120  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.570  -0.200  -0.091  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.114   1.087  -0.239  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.494   1.295  -0.155  0.00  0.00    +0.029 A 
BRANCH  10  16
ATOM     16  S   LIG    1        7.090   0.492   0.187  0.00  0.00    +0.060 S 
ATOM     17  O   LIG    1        7.740  -0.763   0.504  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1        7.472   1.265  -0.975  0.00  0.00    -0.153 OA
BRANCH  16  20
ATOM     19  C   LIG    1        6.848   0.846   2.849  0.00  0.00    +0.131 C 
ATOM     20  N   LIG    1        7.223   1.494   1.572  0.00  0.00    -0.183 NA
ATOM     21  C   LIG    1        8.540   2.163   1.672  0.00  0.00    +0.131 C 
ENDBRANCH  16  20
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   5  22
ATOM     22  C   LIG    1       -0.745   1.693  -4.192  0.00  0.00    +0.121 C 
ATOM     23  N   LIG    1       -0.879   2.218  -5.221  0.00  0.00    -0.189 NA
ENDBRANCH   5  22
BRANCH   6  24
ATOM     24  N   LIG    1       -3.007  -1.054  -0.004  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -3.161  -1.809   0.664  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.857   0.061   0.408  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.279  -0.398   0.536  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -6.085  -0.671  -0.565  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.803  -0.544  -2.015  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -7.020  -1.285  -2.572  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -8.075  -1.262  -1.585  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -7.407  -1.065  -0.403  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -7.989  -1.211   0.841  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -7.195  -0.965   1.959  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -5.860  -0.568   1.801  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -5.128  -0.344   2.901  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 7