REMARK  Name = BDB064251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.211  -1.116  -1.554  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.100  -0.863  -0.393  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.818  -1.018   0.633  0.00  0.00    -0.297 N 
ATOM      4  H   LIG    1       -0.562  -0.708   1.559  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.411  -0.373   0.018  0.00  0.00    +0.074 A 
ATOM      6  S   LIG    1        2.506   0.162  -1.195  0.00  0.00    -0.082 S 
ATOM      7  C   LIG    1        3.703   0.559  -0.053  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        3.297   0.286   1.233  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.977  -0.256   1.276  0.00  0.00    +0.021 A 
BRANCH   7  10
ATOM     10  C   LIG    1        5.108   1.162  -0.410  0.00  0.00    +0.099 A 
ATOM     11  N   LIG    1        6.012   1.458   0.534  0.00  0.00    -0.173 NA
ATOM     12  N   LIG    1        7.058   1.938  -0.158  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1        7.881   2.232   0.357  0.00  0.00    +0.188 HD
ATOM     14  C   LIG    1        6.855   1.962  -1.505  0.00  0.00    +0.105 A 
ATOM     15  C   LIG    1        5.590   1.461  -1.704  0.00  0.00    +0.049 A 
ENDBRANCH   7  10
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1       -2.229  -1.479   0.389  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -2.730  -2.371   1.570  0.00  0.00    +0.192 C 
ATOM     18  O   LIG    1       -3.067  -3.455   0.674  0.00  0.00    -0.375 OA
ATOM     19  C   LIG    1       -2.312  -2.828  -0.395  0.00  0.00    +0.192 C 
BRANCH  16  20
ATOM     20  C   LIG    1       -3.246  -0.292  -0.064  0.00  0.00    -0.020 A 
ATOM     21  C   LIG    1       -4.609  -0.553  -0.337  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -5.506   0.452  -0.721  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -5.060   1.760  -0.844  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -6.154   3.001  -1.313  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -3.730   2.067  -0.588  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -2.842   1.054  -0.204  0.00  0.00    +0.007 A 
ENDBRANCH  16  20
ENDBRANCH   3  16
TORSDOF 4