REMARK  Name = BDB028834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.582  -0.641  -0.167  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        1.437  -0.207   0.502  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        0.304   0.073  -0.248  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.261  -0.067  -1.590  0.00  0.00    -0.249 NA
ATOM      5  C   LIG    1        1.377  -0.507  -2.210  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        2.550  -0.809  -1.550  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.301  -0.485   2.457  0.00  0.00    +0.128 C 
ATOM      8  N   LIG    1        4.058  -0.312   1.746  0.00  0.00    -0.314 N 
ATOM      9  H   LIG    1        3.510   0.510   1.963  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1        3.840  -0.969   0.553  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1        4.631  -1.765   0.061  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   3  12
ATOM     12  S   LIG    1       -1.164   0.626   0.601  0.00  0.00    -0.093 S 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.249   1.074  -0.814  0.00  0.00    +0.139 C 
ATOM     14  C   LIG    1       -3.266   2.087  -0.304  0.00  0.00    +0.233 C 
ATOM     15  O   LIG    1       -3.023   3.291  -0.220  0.00  0.00    -0.274 OA
ATOM     16  N   LIG    1       -4.484   1.599   0.107  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -5.135   2.285   0.464  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.945   0.309   0.053  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -6.071   0.024   0.453  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -3.989  -0.733  -0.470  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -2.975  -0.124  -1.428  0.00  0.00    +0.033 C 
ENDBRANCH  12  13
ENDBRANCH   3  12
TORSDOF 3