REMARK  Name = BDB033684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.173  -1.750  -0.771  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -1.716  -3.020  -1.035  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -0.367  -3.195  -0.861  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1        0.464  -2.212  -0.455  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1       -0.074  -1.012  -0.212  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -1.376  -0.742  -0.360  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.557  -4.086  -1.456  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -3.222  -4.975  -1.795  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1        0.707   0.046   0.226  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        0.164   0.882   0.034  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.094   0.069  -0.244  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        2.975  -0.860   0.612  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        4.289  -0.218   1.041  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1        4.873   0.503  -0.102  0.00  0.00    -0.181 NA
ATOM     15  C   LIG    1        4.053   1.602  -0.654  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        2.602   1.514  -0.191  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  S   LIG    1        6.554   0.677  -0.171  0.00  0.00    +0.029 S 
ATOM     18  O   LIG    1        6.875   1.364  -1.403  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1        7.149  -0.600   0.158  0.00  0.00    -0.158 OA
ATOM     20  C   LIG    1        6.879   1.791   1.182  0.00  0.00    +0.215 C 
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  21
ATOM     21  O   LIG    1       -3.527  -1.514  -0.906  0.00  0.00    -0.469 OA
BRANCH  21  24
ATOM     22  C   LIG    1       -3.533   0.399   1.719  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1       -4.554   0.141   0.622  0.00  0.00    +0.106 C 
ATOM     24  C   LIG    1       -3.943  -0.154  -0.768  0.00  0.00    +0.212 C 
ATOM     25  C   LIG    1       -5.135   0.098  -1.686  0.00  0.00    +0.123 C 
ATOM     26  C   LIG    1       -5.657   1.398  -1.121  0.00  0.00    +0.255 C 
ATOM     27  F   LIG    1       -4.900   2.419  -1.601  0.00  0.00    -0.205 F 
ATOM     28  F   LIG    1       -6.927   1.639  -1.491  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -5.495   1.334   0.390  0.00  0.00    +0.113 C 
BRANCH  23  30
ATOM     30  O   LIG    1       -5.372  -0.962   1.041  0.00  0.00    -0.385 OA
ATOM     31  H   LIG    1       -4.835  -1.773   0.954  0.00  0.00    +0.210 HD
ENDBRANCH  23  30
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 7