REMARK  Name = BDB036564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.272  -0.167  -0.572  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        0.301   0.675  -1.174  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1       -0.858   0.146  -1.770  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.059  -1.248  -1.764  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -0.081  -2.034  -1.180  0.00  0.00    +0.171 A 
ATOM      6  O   LIG    1       -0.425  -3.343  -1.285  0.00  0.00    -0.353 OA
ATOM      7  N   LIG    1       -1.639  -3.449  -1.932  0.00  0.00    -0.061 NA
ATOM      8  C   LIG    1       -2.026  -2.197  -2.202  0.00  0.00    +0.188 A 
ATOM      9  C   LIG    1        1.080  -1.553  -0.578  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        2.408   0.450   0.017  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1        2.350   1.457  -0.120  0.00  0.00    +0.154 HD
BRANCH  10  16
ATOM     12  C   LIG    1        5.426  -0.024   1.759  0.00  0.00    +0.038 A 
ATOM     13  N   LIG    1        4.916  -1.283   1.621  0.00  0.00    -0.280 N 
ATOM     14  H   LIG    1        5.315  -2.159   1.942  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1        3.745  -1.323   0.973  0.00  0.00    -0.158 NA
ATOM     16  C   LIG    1        3.477  -0.050   0.673  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1        4.506   0.801   1.151  0.00  0.00    +0.068 A 
BRANCH  12  19
ATOM     18  C   LIG    1        7.890   0.176   1.484  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1        6.714   0.254   2.446  0.00  0.00    +0.051 C 
ENDBRANCH  12  19
ENDBRANCH  10  16
ENDBRANCH   1  10
BRANCH   2  20
ATOM     20  O   LIG    1        0.599   2.022  -1.119  0.00  0.00    -0.493 OA
ATOM     21  C   LIG    1       -0.316   2.917  -1.743  0.00  0.00    +0.277 C 
ENDBRANCH   2  20
BRANCH   8  22
ATOM     22  N   LIG    1       -3.262  -2.045  -2.813  0.00  0.00    -0.196 N 
ATOM     23  H   LIG    1       -3.756  -2.905  -3.041  0.00  0.00    +0.175 HD
BRANCH  22  24
ATOM     24  S   LIG    1       -4.209  -0.678  -2.861  0.00  0.00    +0.075 S 
ATOM     25  O   LIG    1       -5.514  -1.115  -3.311  0.00  0.00    -0.150 OA
ATOM     26  O   LIG    1       -3.460   0.322  -3.587  0.00  0.00    -0.150 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -4.406  -0.201  -1.163  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1       -4.479   1.136  -0.770  0.00  0.00    +0.068 A 
ATOM     29 CL   LIG    1       -4.502   2.477  -1.854  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -4.586   1.446   0.594  0.00  0.00    +0.025 A 
ATOM     31  C   LIG    1       -4.627   0.438   1.567  0.00  0.00    -0.049 A 
ATOM     32  C   LIG    1       -4.772   0.789   3.019  0.00  0.00    +0.044 C 
ATOM     33  C   LIG    1       -4.602  -0.896   1.159  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.495  -1.216  -0.195  0.00  0.00    +0.030 A 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 7