REMARK  Name = BDB065411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.250  -2.072   0.008  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1        2.294  -1.791  -0.937  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1        2.469  -1.721  -2.146  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.974  -1.591  -0.280  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -0.122  -1.277  -0.984  0.00  0.00    +0.028 C 
ATOM      6  S   LIG    1        1.124  -1.797   1.420  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1        2.843  -2.133   1.312  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1        3.525  -2.395   2.290  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.463  -1.044  -0.440  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -2.187  -2.064   0.181  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -3.472  -1.816   0.677  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -4.062  -0.550   0.564  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -3.334   0.458  -0.078  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -2.047   0.217  -0.574  0.00  0.00    +0.010 A 
BRANCH  12  15
ATOM     15  N   LIG    1       -5.369  -0.364   1.044  0.00  0.00    -0.314 N 
ATOM     16  H   LIG    1       -5.615  -0.981   1.811  0.00  0.00    +0.152 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -6.385   0.536   0.684  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1       -6.472   1.116  -0.588  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -7.479   2.038  -0.894  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -8.408   2.396   0.078  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -9.646   3.530  -0.294  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -8.338   1.839   1.351  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -7.330   0.916   1.650  0.00  0.00    +0.024 A 
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  24
ATOM     24  C   LIG    1        4.636  -2.272  -0.353  0.00  0.00    +0.152 C 
BRANCH  24  29
ATOM     25  C   LIG    1        7.515   2.796  -0.261  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        6.803   1.476  -0.295  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1        6.160   1.047  -1.460  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        5.470  -0.168  -1.483  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        5.407  -0.972  -0.337  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        6.032  -0.528   0.836  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        6.721   0.686   0.857  0.00  0.00    +0.003 A 
ENDBRANCH  24  29
ENDBRANCH   1  24
TORSDOF 5