REMARK  Name = BDB032523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.285  -1.917   0.869  0.00  0.00    +0.009 A 
ATOM      2  S   LIG    1        0.211  -3.498   0.465  0.00  0.00    -0.098 S 
ATOM      3  C   LIG    1        1.810  -2.977   0.152  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.989  -1.622   0.351  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        0.760  -1.017   0.760  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        3.181  -0.961   0.159  0.00  0.00    -0.320 N 
ATOM      7  C   LIG    1        4.452  -1.718   0.346  0.00  0.00    +0.181 C 
ATOM      8  C   LIG    1        5.699  -0.923   0.151  0.00  0.00    +0.151 A 
ATOM      9  N   LIG    1        6.954  -1.295   0.269  0.00  0.00    -0.132 NA
ATOM     10  N   LIG    1        7.743  -0.200  -0.011  0.00  0.00    -0.125 NA
ATOM     11  C   LIG    1        6.954   0.823  -0.295  0.00  0.00    +0.238 A 
ATOM     12  N   LIG    1        5.660   0.398  -0.186  0.00  0.00    -0.305 N 
ATOM     13  C   LIG    1        4.426   1.120  -0.390  0.00  0.00    +0.144 C 
ATOM     14  C   LIG    1        3.282   0.490   0.414  0.00  0.00    +0.127 C 
BRANCH  11  15
ATOM     15  C   LIG    1        7.331   2.205  -0.668  0.00  0.00    +0.452 C 
ATOM     16  F   LIG    1        6.702   2.599  -1.810  0.00  0.00    -0.163 F 
ATOM     17  F   LIG    1        8.660   2.375  -0.871  0.00  0.00    -0.163 F 
ATOM     18  F   LIG    1        6.957   3.095   0.290  0.00  0.00    -0.163 F 
ENDBRANCH  11  15
ENDBRANCH   4   6
BRANCH   1  19
ATOM     19  C   LIG    1       -1.705  -1.633   1.275  0.00  0.00    +0.144 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.363  -0.696   0.365  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1       -2.191  -0.962  -0.601  0.00  0.00    +0.146 HD
BRANCH  20  25
ATOM     22  C   LIG    1       -6.377   1.535  -1.299  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -5.740   0.805  -0.271  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.384   0.433  -0.453  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -3.714  -0.341   0.549  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1       -4.398  -0.628   1.741  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.724  -0.247   1.927  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -3.756   0.869  -1.636  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -4.470   1.603  -2.567  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1       -6.391   0.451   0.928  0.00  0.00    +0.012 A 
ATOM     31  N   LIG    1       -5.764   1.934  -2.428  0.00  0.00    -0.240 NA
BRANCH  22  32
ATOM     32  N   LIG    1       -7.722   1.913  -1.214  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1       -7.931   2.391  -2.088  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1       -8.311   1.098  -1.090  0.00  0.00    +0.144 HD
ENDBRANCH  22  32
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6