REMARK  Name = BDB065413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.201   1.319   1.375  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1        2.559   1.497   0.174  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1        3.090   1.734  -0.902  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        1.088   1.371   0.362  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.234   1.508  -0.661  0.00  0.00    +0.028 C 
ATOM      6  S   LIG    1        0.729   1.070   2.016  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1        2.422   1.086   2.474  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1        2.796   0.920   3.624  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.227   1.414  -0.583  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -2.004   2.539  -0.866  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -3.401   2.463  -0.812  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -4.050   1.266  -0.477  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -3.260   0.143  -0.213  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.863   0.212  -0.263  0.00  0.00    +0.010 A 
BRANCH  12  15
ATOM     15  N   LIG    1       -5.455   1.234  -0.476  0.00  0.00    -0.314 N 
ATOM     16  H   LIG    1       -5.885   2.129  -0.271  0.00  0.00    +0.152 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -6.372   0.188  -0.672  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1       -7.633   0.267  -0.062  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -8.567  -0.766  -0.196  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -8.244  -1.895  -0.942  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -9.389  -3.167  -1.111  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -6.998  -1.997  -1.552  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -6.068  -0.961  -1.412  0.00  0.00    +0.024 A 
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  24
ATOM     24  C   LIG    1        4.644   1.346   1.473  0.00  0.00    +0.152 C 
BRANCH  24  27
ATOM     25  C   LIG    1        6.070  -1.743  -0.262  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        5.550  -0.465  -0.048  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        5.240  -0.026   1.252  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1        5.448  -0.892   2.335  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        5.972  -2.166   2.124  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.282  -2.586   0.830  0.00  0.00    +0.045 A 
BRANCH  25  32
ATOM     31  C   LIG    1        6.163  -1.479  -2.623  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        6.407  -2.281  -1.474  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6