REMARK  Name = BDB004811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.338  -1.091  -2.763  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        1.424   0.295  -3.407  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -2.231  -1.129  -1.306  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -0.987  -0.676  -1.753  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.034  -1.559  -2.296  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.361  -2.922  -2.383  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -1.603  -3.384  -1.955  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.533  -2.491  -1.421  0.00  0.00    +0.023 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -3.161   1.061  -0.471  0.00  0.00    +0.256 C 
ATOM     10  N   LIG    1       -3.222  -0.304  -0.728  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -4.079  -0.779  -0.487  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -2.199   1.770  -0.752  0.00  0.00    -0.269 OA
BRANCH   9  16
ATOM     13  C   LIG    1       -6.908   4.240   1.455  0.00  0.00    +0.073 C 
ATOM     14  C   LIG    1       -6.082   3.067   1.056  0.00  0.00    +0.076 A 
ATOM     15  S   LIG    1       -4.595   3.305   0.235  0.00  0.00    -0.068 S 
ATOM     16  C   LIG    1       -4.356   1.601   0.167  0.00  0.00    +0.094 A 
ATOM     17  C   LIG    1       -5.420   0.982   0.795  0.00  0.00    +0.132 A 
ATOM     18  N   LIG    1       -6.406   1.815   1.290  0.00  0.00    -0.252 NA
ENDBRANCH   9  16
ENDBRANCH   3  10
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  N   LIG    1        2.379  -1.339  -1.751  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1        2.341  -2.311  -1.459  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.462  -0.552  -0.587  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1        3.473  -0.821   0.360  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        3.483  -0.023   1.523  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1        4.476  -0.289   2.489  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1        5.433  -1.306   2.296  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        5.425  -2.072   1.143  0.00  0.00    +0.002 A 
ATOM     27  N   LIG    1        2.568   0.959   1.687  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1        1.676   1.150   0.710  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1        4.454  -1.829   0.182  0.00  0.00    +0.013 A 
ATOM     30  N   LIG    1        1.592   0.447  -0.416  0.00  0.00    -0.220 NA
BRANCH  24  31
ATOM     31  C   LIG    1        4.598   0.471   3.773  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1        5.474   0.213   4.592  0.00  0.00    -0.270 OA
ATOM     33  N   LIG    1        3.706   1.470   4.026  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1        2.984   1.705   3.350  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1        3.788   1.999   4.881  0.00  0.00    +0.145 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6