REMARK  Name = BDB022159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.321   1.328   1.063  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        1.007   0.119   1.073  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.559  -1.228   1.521  0.00  0.00    +0.066 C 
ATOM      4  N   LIG    1        2.293   0.392   0.598  0.00  0.00    -0.202 N 
ATOM      5  N   LIG    1        2.454   1.730   0.364  0.00  0.00    -0.171 NA
ATOM      6  C   LIG    1        1.282   2.275   0.676  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   1  11
ATOM      7  N   LIG    1       -4.384  -0.574  -0.275  0.00  0.00    -0.299 NA
ATOM      8  C   LIG    1       -4.386  -0.094   1.124  0.00  0.00    +0.103 C 
ATOM      9  C   LIG    1       -3.418   1.069   1.412  0.00  0.00    +0.123 C 
ATOM     10  N   LIG    1       -2.060   0.798   0.939  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1       -1.048   1.608   1.465  0.00  0.00    +0.250 C 
ATOM     12  O   LIG    1       -1.284   2.529   2.244  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -1.985   0.263  -0.427  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1       -2.990  -0.881  -0.664  0.00  0.00    +0.103 C 
BRANCH   7  15
ATOM     15  C   LIG    1       -5.010   0.366  -1.218  0.00  0.00    +0.084 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -7.289  -0.784  -1.141  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -6.526   0.529  -1.036  0.00  0.00    +0.012 C 
ENDBRANCH  15  17
ENDBRANCH   7  15
ENDBRANCH   1  11
BRANCH   4  18
ATOM     18  C   LIG    1        3.378  -0.533   0.346  0.00  0.00    +0.252 A 
ATOM     19  N   LIG    1        4.547  -0.026  -0.098  0.00  0.00    -0.210 NA
ATOM     20  C   LIG    1        5.561  -0.883  -0.340  0.00  0.00    +0.083 A 
ATOM     21  C   LIG    1        5.428  -2.242  -0.150  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.203  -2.673   0.299  0.00  0.00    +0.117 A 
ATOM     23  N   LIG    1        3.169  -1.852   0.551  0.00  0.00    -0.219 NA
BRANCH  20  24
ATOM     24  C   LIG    1        6.791  -0.224  -0.817  0.00  0.00    +0.038 A 
ATOM     25  S   LIG    1        8.209  -1.112  -1.221  0.00  0.00    -0.095 S 
ATOM     26  C   LIG    1        9.075   0.298  -1.641  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        8.317   1.434  -1.483  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        7.007   1.133  -1.011  0.00  0.00    +0.017 A 
ENDBRANCH  20  24
ENDBRANCH   4  18
TORSDOF 5