REMARK  Name = BDB063146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.979   2.614   1.959  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        1.032   1.587   1.298  0.00  0.00    +0.276 C 
ATOM      3  C   LIG    1       -0.153   0.993   0.612  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1       -1.376   1.534   0.700  0.00  0.00    +0.028 C 
ATOM      5  S   LIG    1        0.327  -0.423  -0.230  0.00  0.00    -0.051 S 
ATOM      6  C   LIG    1        1.969  -0.197   0.347  0.00  0.00    +0.156 C 
ATOM      7  N   LIG    1        2.170   0.845   1.079  0.00  0.00    -0.154 NA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.587   1.009   0.065  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1       -3.594   0.444   0.855  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -4.760  -0.061   0.291  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1       -4.934   0.003  -1.114  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1       -6.046  -0.473  -1.708  0.00  0.00    -0.252 NA
ATOM     13  C   LIG    1       -6.978  -1.011  -0.891  0.00  0.00    +0.131 A 
ATOM     14  C   LIG    1       -6.810  -1.073   0.477  0.00  0.00    +0.131 A 
ATOM     15  C   LIG    1       -3.934   0.572  -1.891  0.00  0.00    +0.030 A 
ATOM     16  N   LIG    1       -5.702  -0.602   1.089  0.00  0.00    -0.252 NA
ATOM     17  C   LIG    1       -2.765   1.077  -1.316  0.00  0.00    +0.010 A 
ENDBRANCH   4   8
BRANCH   6  18
ATOM     18  N   LIG    1        2.864  -1.147  -0.071  0.00  0.00    -0.293 N 
ATOM     19  H   LIG    1        2.595  -1.576  -0.952  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.264  -0.951   0.035  0.00  0.00    +0.070 A 
ATOM     21  C   LIG    1        4.925  -0.879   1.277  0.00  0.00    +0.064 A 
ATOM     22 CL   LIG    1        4.109  -1.230   2.764  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        6.295  -0.600   1.349  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        7.031  -0.384   0.185  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        6.400  -0.453  -1.055  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.032  -0.730  -1.126  0.00  0.00    +0.064 A 
ATOM     27 CL   LIG    1        4.293  -0.794  -2.691  0.00  0.00    -0.082 Cl
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3