REMARK  Name = BDB023243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.740  -1.497  -1.385  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.962  -0.689  -0.901  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.367   0.528  -0.344  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -0.671   1.156   0.051  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.464  -0.899  -0.780  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.236   0.057  -0.166  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.523  -0.389  -0.188  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.592  -1.628  -0.805  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.850  -2.234  -0.905  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.980  -1.585  -0.395  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.884  -0.325   0.214  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.985  -3.435  -1.482  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.625   0.290   0.333  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.264  -1.951  -1.185  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.035   0.308   0.733  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.233   1.716   0.941  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.725   1.400   1.079  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.397   0.111   0.319  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1       -2.804   1.279  -0.709  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1       -2.697   2.570  -0.059  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.974   1.153  -2.139  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.050   0.368   0.154  0.00  0.00    +0.134 A 
ATOM     23  C   LIG    1       -5.381   0.568  -0.221  0.00  0.00    +0.099 A 
ATOM     24  C   LIG    1       -6.360  -0.195   0.463  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -7.709  -0.035   0.115  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -8.066   0.867  -0.877  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -7.053   1.579  -1.479  0.00  0.00    +0.130 A 
ATOM     28 CL   LIG    1       -7.393   2.728  -2.705  0.00  0.00    -0.062 Cl
ATOM     29  C   LIG    1       -5.997  -1.095   1.479  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1       -4.665  -1.248   1.846  0.00  0.00    +0.003 A 
ATOM     31  N   LIG    1       -5.747   1.453  -1.171  0.00  0.00    -0.233 NA
ATOM     32  C   LIG    1       -3.687  -0.513   1.187  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 4