REMARK  Name = BDB050018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.272  -1.631   0.478  0.00  0.00    +0.243 C 
ATOM      2  N   LIG    1        1.105  -0.546   0.446  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.731   0.385   0.545  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.567  -2.818   0.502  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.473  -0.556   0.360  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1        3.390  -1.985   0.187  0.00  0.00    -0.057 S 
ATOM      7  C   LIG    1        4.810  -1.052   0.165  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        6.183  -1.610   0.010  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        7.230  -0.544   0.386  0.00  0.00    +0.006 C 
ATOM     10  C   LIG    1        6.888   0.839  -0.200  0.00  0.00    +0.006 C 
ATOM     11  C   LIG    1        5.532   1.361   0.307  0.00  0.00    +0.056 C 
ATOM     12  C   LIG    1        4.498   0.287   0.278  0.00  0.00    +0.054 A 
ATOM     13  N   LIG    1        3.153   0.570   0.391  0.00  0.00    -0.229 NA
ENDBRANCH   2   5
BRANCH   1  15
ATOM     14  C   LIG    1       -1.726  -0.251  -0.112  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -1.171  -1.272   0.560  0.00  0.00    +0.068 C 
BRANCH  14  20
ATOM     16  C   LIG    1       -4.905   1.752   0.064  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -5.866   0.740   0.010  0.00  0.00    +0.091 A 
ATOM     18  C   LIG    1       -5.496  -0.603  -0.086  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1       -4.142  -0.937  -0.122  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1       -3.161   0.065  -0.051  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -3.553   1.410   0.028  0.00  0.00    +0.053 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -4.480   4.089   0.213  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -5.413   3.019   0.149  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
BRANCH  18  24
ATOM     24  O   LIG    1       -6.543  -1.481  -0.142  0.00  0.00    -0.495 OA
ATOM     25  C   LIG    1       -6.224  -2.864  -0.240  0.00  0.00    +0.277 C 
ENDBRANCH  18  24
ENDBRANCH  14  20
ENDBRANCH   1  15
TORSDOF 5