REMARK  Name = BDB021233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.847   0.042   0.194  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.157  -1.162   0.530  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.216  -1.080   0.652  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.667  -2.324   1.030  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.459  -3.112   1.079  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.929   0.114   0.447  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.289   1.219   0.176  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.584  -2.389   0.765  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.084   1.151   0.063  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.104   0.332  -0.253  0.00  0.00    +0.088 A 
ATOM     11  C   LIG    1        5.272   0.919  -1.208  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        3.885   0.828  -1.061  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        3.318   0.153   0.035  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        4.177  -0.453   0.967  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        5.565  -0.369   0.826  0.00  0.00    +0.027 A 
BRANCH  10  17
ATOM     16  C   LIG    1        8.307   1.808   0.589  0.00  0.00    +0.200 C 
ATOM     17  S   LIG    1        7.869   0.431  -0.439  0.00  0.00    -0.006 S 
ATOM     18  O   LIG    1        8.147   0.794  -1.815  0.00  0.00    -0.170 OA
ATOM     19  O   LIG    1        8.438  -0.769   0.145  0.00  0.00    -0.170 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  C   LIG    1        0.528  -4.500   1.421  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1        0.550  -5.628   1.702  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.300   0.136   0.558  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.587   1.110   0.640  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.103  -0.489  -0.488  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.547  -0.476  -0.085  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.377   0.623  -0.285  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.083   1.958  -0.860  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.511   2.481  -1.021  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.378   1.770  -0.109  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.699   0.606   0.145  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.253  -0.481   0.789  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.442  -1.597   0.995  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.109  -1.585   0.563  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.356  -2.672   0.786  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6