REMARK  Name = BDB036505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.163  -1.567   1.225  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        1.571  -0.339   0.633  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        0.605   0.595   0.233  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -0.728   0.256   0.442  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1       -1.157  -0.928   1.010  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -2.572  -0.813   1.006  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -2.966   0.346   0.471  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1       -1.807   1.018   0.124  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1       -0.196  -1.873   1.416  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        1.868  -3.618   2.239  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        2.202  -2.403   1.578  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1        2.965  -0.117   0.472  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1        3.477  -0.916   0.839  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.669   0.912  -0.049  0.00  0.00    +0.145 A 
ATOM     15  N   LIG    1        3.208   2.042  -0.587  0.00  0.00    -0.158 NA
ATOM     16  N   LIG    1        4.303   2.723  -0.947  0.00  0.00    -0.280 N 
ATOM     17  H   LIG    1        4.179   3.630  -1.383  0.00  0.00    +0.189 HD
ATOM     18  C   LIG    1        5.473   2.075  -0.667  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        5.086   0.888  -0.080  0.00  0.00    +0.068 A 
BRANCH  18  20
ATOM     20  C   LIG    1        6.813   2.658  -0.988  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        7.571   1.774  -1.979  0.00  0.00    +0.014 C 
ATOM     22  C   LIG    1        7.635   2.874   0.283  0.00  0.00    +0.014 C 
ENDBRANCH  18  20
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  23
ATOM     23  N   LIG    1       -3.438  -1.796   1.458  0.00  0.00    -0.196 N 
ATOM     24  H   LIG    1       -3.094  -2.686   1.801  0.00  0.00    +0.175 HD
BRANCH  23  25
ATOM     25  S   LIG    1       -5.084  -1.579   1.672  0.00  0.00    +0.077 S 
ATOM     26  O   LIG    1       -5.572  -2.878   2.095  0.00  0.00    -0.150 OA
ATOM     27  O   LIG    1       -5.260  -0.413   2.509  0.00  0.00    -0.150 OA
BRANCH  25  28
ATOM     28  C   LIG    1       -5.703  -1.316   0.032  0.00  0.00    +0.150 A 
ATOM     29  C   LIG    1       -6.617  -0.304  -0.258  0.00  0.00    +0.147 A 
ATOM     30  C   LIG    1       -7.081  -0.145  -1.569  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1       -6.613  -0.975  -2.589  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -5.696  -1.984  -2.301  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -5.246  -2.161  -0.992  0.00  0.00    +0.032 A 
BRANCH  29  34
ATOM     34  O   LIG    1       -7.164   0.476   0.721  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -6.628   1.801   0.678  0.00  0.00    +0.277 C 
ENDBRANCH  29  34
ENDBRANCH  25  28
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 8