REMARK  Name = BDB034893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.423   0.274   1.080  0.00  0.00    +0.113 A 
ATOM      2  N   LIG    1       -0.597   0.653   0.192  0.00  0.00    -0.313 N 
ATOM      3  C   LIG    1       -1.872   0.523   0.744  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.987   0.785   0.141  0.00  0.00    -0.152 NA
ATOM      5  S   LIG    1       -1.718  -0.108   2.417  0.00  0.00    -0.060 S 
ATOM      6  C   LIG    1        0.018  -0.139   2.290  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.156  -0.296  -0.473  0.00  0.00    -0.309 N 
ATOM      8  H   LIG    1        1.412  -0.762  -0.977  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.875   0.242   0.761  0.00  0.00    +0.261 C 
ATOM     10  O   LIG    1        2.728   0.603   1.561  0.00  0.00    -0.269 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.523  -0.515  -0.912  0.00  0.00    +0.120 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.165  -1.749  -0.247  0.00  0.00    +0.102 C 
BRANCH  12  14
ATOM     13  C   LIG    1        6.496  -1.127  -0.552  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        5.464  -2.128  -0.837  0.00  0.00    -0.307 NA
ATOM     15  C   LIG    1        5.887  -3.429  -0.309  0.00  0.00    +0.104 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   4  16
ATOM     16  C   LIG    1       -4.148   0.641   0.849  0.00  0.00    +0.270 C 
ATOM     17  O   LIG    1       -4.578   1.507   1.603  0.00  0.00    -0.268 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -4.925  -0.612   0.663  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -4.670  -1.539  -0.369  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1       -5.474  -2.676  -0.391  0.00  0.00    +0.139 A 
ATOM     21  N   LIG    1       -5.090  -3.458  -1.446  0.00  0.00    -0.346 N 
ATOM     22  H   LIG    1       -5.527  -4.339  -1.673  0.00  0.00    +0.167 HD
ATOM     23  C   LIG    1       -4.063  -2.854  -2.121  0.00  0.00    +0.085 A 
ATOM     24  N   LIG    1       -6.470  -2.999   0.453  0.00  0.00    -0.237 NA
ATOM     25  C   LIG    1       -6.678  -2.073   1.412  0.00  0.00    +0.114 A 
ATOM     26  C   LIG    1       -3.785  -1.664  -1.482  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1       -5.962  -0.898   1.562  0.00  0.00    +0.033 A 
ENDBRANCH  16  18
ENDBRANCH   4  16
BRANCH   2  28
ATOM     28  C   LIG    1       -0.402   1.533  -0.961  0.00  0.00    +0.159 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.135   2.962  -0.540  0.00  0.00    -0.028 A 
ATOM     30  C   LIG    1        1.175   3.463  -0.492  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        1.419   4.776  -0.085  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.358   5.602   0.280  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.947   5.117   0.239  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.193   3.805  -0.167  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 8