REMARK  Name = BDB028486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.598   0.135   1.127  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        0.997  -0.280   0.042  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1        2.303  -0.188  -0.356  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1        3.299   0.436   0.503  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1        4.557   0.521  -0.369  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1        4.415  -0.715  -1.267  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1        2.918  -0.765  -1.542  0.00  0.00    +0.110 C 
ATOM      8  N   LIG    1        0.156  -0.863  -0.863  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1        0.439  -0.823  -1.829  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        5.859   0.601   0.388  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1        6.716   1.693   0.182  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        7.928   1.791   0.869  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        8.300   0.799   1.773  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        7.461  -0.291   1.989  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.249  -0.390   1.302  0.00  0.00    +0.004 A 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1       -1.268  -1.049  -0.594  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.059   0.275  -0.572  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.920   0.967   0.674  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -1.008   0.795   1.001  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -3.562   0.065  -0.886  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.236  -1.036  -0.160  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -5.601  -1.272  -0.691  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -6.590  -0.261  -0.181  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1       -6.370   0.476   0.968  0.00  0.00    -0.005 A 
ATOM     25  S   LIG    1       -7.647   1.527   1.346  0.00  0.00    -0.101 S 
ATOM     26  C   LIG    1       -8.535   1.015  -0.026  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.115   0.392   1.778  0.00  0.00    +0.058 C 
ATOM     28  C   LIG    1       -7.859   0.058  -0.755  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -4.290  -0.828   1.311  0.00  0.00    +0.090 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 6