REMARK  Name = BDB023331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.788  -0.039  -0.275  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -1.740  -0.843  -0.912  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1       -1.496  -1.637  -1.488  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -1.103   0.867   0.483  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        5.147  -0.576  -0.354  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        4.024   0.070   0.193  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1        2.767  -0.311  -0.278  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.557  -1.274  -1.249  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        1.150  -1.346  -1.431  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        0.579  -0.429  -0.560  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1        3.682  -1.903  -1.792  0.00  0.00    +0.136 A 
ATOM     12  F   LIG    1        3.546  -2.842  -2.739  0.00  0.00    -0.205 F 
ATOM     13  O   LIG    1        1.579   0.199   0.141  0.00  0.00    -0.450 OA
ATOM     14  C   LIG    1        4.960  -1.553  -1.346  0.00  0.00    +0.062 A 
BRANCH   5  17
ATOM     15  C   LIG    1        6.848   2.008   0.996  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1        6.863   0.510   1.225  0.00  0.00    +0.072 C 
ATOM     17  N   LIG    1        6.460  -0.242   0.060  0.00  0.00    -0.327 N 
ATOM     18  C   LIG    1        7.539  -1.186   0.207  0.00  0.00    +0.107 C 
ATOM     19  C   LIG    1        8.244  -0.149   1.078  0.00  0.00    +0.041 C 
ENDBRANCH   5  17
ENDBRANCH   1  10
BRANCH   2  20
ATOM     20  S   LIG    1       -3.351  -0.445  -1.027  0.00  0.00    +0.075 S 
ATOM     21  O   LIG    1       -3.933  -1.529  -1.793  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -3.405   0.922  -1.490  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.006  -0.583   0.621  0.00  0.00    +0.116 A 
ATOM     24  C   LIG    1       -5.179   0.107   0.986  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -5.627  -0.016   2.317  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -4.948  -0.807   3.245  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.808  -1.503   2.861  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.338  -1.398   1.553  0.00  0.00    +0.029 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -5.988   0.908   0.057  0.00  0.00    -0.016 A 
ATOM     30  C   LIG    1       -6.811   0.287  -0.896  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -7.594   1.048  -1.767  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -7.568   2.439  -1.693  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.760   3.070  -0.750  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -5.977   2.309   0.121  0.00  0.00    +0.008 A 
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH   2  20
TORSDOF 5