REMARK  Name = BDB028501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.644   1.990  -1.619  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.016   1.056  -2.519  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1        0.534   0.231  -2.397  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -0.311   3.171  -1.384  0.00  0.00    +0.138 C 
BRANCH   4  15
ATOM      5  O   LIG    1       -1.190   3.040   1.252  0.00  0.00    -0.253 OA
ATOM      6  C   LIG    1       -1.951   2.646   0.371  0.00  0.00    +0.302 C 
ATOM      7  N   LIG    1       -3.172   2.061   0.659  0.00  0.00    -0.285 N 
ATOM      8  C   LIG    1       -3.470   1.795   2.062  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1       -2.691   0.640   2.682  0.00  0.00    +0.109 C 
ATOM     10  S   LIG    1       -2.298  -0.747   1.581  0.00  0.00    -0.042 S 
ATOM     11  O   LIG    1       -2.156  -2.103   2.526  0.00  0.00    -0.162 OA
ATOM     12  C   LIG    1       -3.863  -0.866   0.669  0.00  0.00    +0.091 C 
ATOM     13  C   LIG    1       -3.841   0.009  -0.583  0.00  0.00    +0.031 C 
ATOM     14  C   LIG    1       -4.101   1.490  -0.313  0.00  0.00    +0.110 C 
ATOM     15  N   LIG    1       -1.632   2.737  -0.954  0.00  0.00    -0.297 N 
ATOM     16  H   LIG    1       -2.039   2.059  -1.579  0.00  0.00    +0.150 HD
ENDBRANCH   4  15
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1        1.040   1.240  -0.329  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.838   0.032  -0.655  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        1.764  -0.927   0.471  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        2.664  -2.131   0.301  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        3.774  -2.088  -0.558  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        4.610  -3.207  -0.673  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        4.359  -4.353   0.080  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.269  -4.393   0.947  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.022  -0.865  -1.402  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        2.426  -3.287   1.060  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.253   0.367  -0.901  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5