REMARK  Name = BDB018853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.498   0.369  -0.877  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1        0.673  -0.372   0.375  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.419  -0.658   1.214  0.00  0.00    +0.242 C 
ATOM      4  O   LIG    1       -0.331  -0.999   2.396  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.990  -0.579   0.813  0.00  0.00    +0.167 A 
ATOM      6  S   LIG    1        2.390  -1.697   2.047  0.00  0.00    -0.060 S 
ATOM      7  C   LIG    1        4.051  -1.342   1.844  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        4.214  -0.413   0.838  0.00  0.00    +0.080 A 
ATOM      9  N   LIG    1        3.029  -0.007   0.239  0.00  0.00    -0.224 NA
BRANCH   8  10
ATOM     10  C   LIG    1        5.503   0.107   0.385  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.598   0.695  -0.886  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        6.814   1.202  -1.353  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        7.950   1.132  -0.551  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        7.872   0.559   0.716  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.655   0.050   1.183  0.00  0.00    +0.010 A 
ENDBRANCH   8  10
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1       -1.824  -0.522   0.588  0.00  0.00    +0.171 C 
ATOM     17  N   LIG    1       -2.244  -1.720  -0.230  0.00  0.00    -0.257 N 
ATOM     18  C   LIG    1       -3.640  -2.089   0.165  0.00  0.00    +0.125 C 
ATOM     19  C   LIG    1       -4.185  -0.884   0.940  0.00  0.00    +0.039 C 
ATOM     20  C   LIG    1       -2.927  -0.398   1.655  0.00  0.00    +0.042 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -4.838   0.227   0.133  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1       -4.663   0.388  -1.249  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.282   1.439  -1.931  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.083   2.346  -1.244  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.266   2.205   0.128  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.648   1.156   0.811  0.00  0.00    +0.004 A 
ENDBRANCH  19  21
BRANCH  17  27
ATOM     27  C   LIG    1       -1.411  -2.579  -0.831  0.00  0.00    +0.170 C 
ATOM     28  N   LIG    1       -0.688  -3.307  -1.365  0.00  0.00    -0.174 NA
ENDBRANCH  17  27
ENDBRANCH   3  16
TORSDOF 5