REMARK  Name = BDB034885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.988   1.193   1.592  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.575   0.658   0.572  0.00  0.00    +0.270 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        2.474   0.451  -0.597  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        3.870   0.607  -0.476  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        4.625   0.386  -1.624  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1        5.944   0.578  -1.315  0.00  0.00    -0.346 N 
ATOM      7  H   LIG    1        6.694   0.478  -1.983  0.00  0.00    +0.167 HD
ATOM      8  C   LIG    1        6.067   0.916   0.006  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1        4.182   0.040  -2.846  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1        2.841  -0.092  -2.908  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.800   0.941   0.552  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        1.962   0.093  -1.852  0.00  0.00    +0.033 A 
ENDBRANCH   2   3
BRANCH   2  13
ATOM     13  N   LIG    1        0.270   0.268   0.409  0.00  0.00    -0.152 NA
ATOM     14  C   LIG    1       -0.118  -0.811   1.006  0.00  0.00    +0.166 A 
ATOM     15  N   LIG    1       -1.411  -1.344   1.021  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1       -1.515  -2.537   1.726  0.00  0.00    +0.095 A 
ATOM     17  C   LIG    1       -0.382  -2.994   2.270  0.00  0.00    +0.066 A 
ATOM     18  S   LIG    1        0.951  -1.927   1.931  0.00  0.00    -0.061 S 
BRANCH  15  19
ATOM     19  C   LIG    1       -2.571  -0.679   0.418  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -2.457  -0.622  -1.115  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -3.131   0.610  -1.723  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -4.397   0.988  -0.964  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -4.117   1.326   0.502  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -2.832   0.695   1.044  0.00  0.00    +0.025 C 
ENDBRANCH  15  19
ENDBRANCH   2  13
TORSDOF 3