REMARK  Name = BDB053920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.333  -1.272   0.557  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1        0.387  -0.446  -0.024  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        0.728   0.367  -0.519  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.064  -2.429   0.871  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.170   1.805   1.262  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        3.034   0.625   0.989  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        2.644  -0.676   0.716  0.00  0.00    +0.097 A 
ATOM      8  S   LIG    1        4.035  -1.672   0.593  0.00  0.00    -0.062 S 
ATOM      9  C   LIG    1        5.057  -0.313   0.845  0.00  0.00    +0.109 A 
ATOM     10  N   LIG    1        4.407   0.821   1.028  0.00  0.00    -0.243 NA
BRANCH   9  11
ATOM     11  C   LIG    1        6.532  -0.420   0.848  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        7.295   0.753   1.003  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        8.694   0.718   1.014  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        9.353  -0.498   0.871  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       11.072  -0.549   0.883  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        8.626  -1.674   0.718  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        7.225  -1.636   0.707  0.00  0.00    +0.012 A 
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -0.940  -0.945  -0.382  0.00  0.00    +0.090 C 
ATOM     19  C   LIG    1       -1.973   0.196  -0.482  0.00  0.00    +0.127 C 
ATOM     20  N   LIG    1       -3.311  -0.305  -0.827  0.00  0.00    -0.328 N 
ATOM     21  C   LIG    1       -3.408  -1.609  -1.491  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -2.215  -1.810  -2.421  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -0.880  -1.764  -1.681  0.00  0.00    +0.025 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.442   0.343  -0.349  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1       -4.434   1.720  -0.067  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1       -5.569   2.389   0.410  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1       -6.758   1.690   0.620  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1       -6.799   0.324   0.346  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -5.655  -0.332  -0.133  0.00  0.00    +0.024 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -7.936   2.433   1.127  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1       -7.972   3.622   1.388  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -9.019   1.651   1.284  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -9.705   2.267   1.619  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  20  24
ENDBRANCH   2  18
TORSDOF 6