REMARK  Name = BDB003428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.518   0.620  -0.586  0.00  0.00    +0.169 A 
ATOM      2  N   LIG    1       -1.267   0.333  -1.694  0.00  0.00    -0.327 N 
ATOM      3  H   LIG    1       -0.920   0.207  -2.635  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1       -2.561   0.246  -1.272  0.00  0.00    +0.150 A 
ATOM      5  C   LIG    1       -3.751  -0.029  -1.989  0.00  0.00    +0.282 A 
ATOM      6  N   LIG    1       -4.882  -0.029  -1.169  0.00  0.00    -0.262 N 
ATOM      7  C   LIG    1       -4.891   0.217   0.222  0.00  0.00    +0.333 A 
ATOM      8  N   LIG    1       -3.661   0.479   0.832  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1       -3.584   0.739   2.258  0.00  0.00    +0.155 C 
ATOM     10  O   LIG    1       -5.946   0.201   0.863  0.00  0.00    -0.246 OA
ATOM     11  C   LIG    1       -6.168  -0.299  -1.781  0.00  0.00    +0.157 C 
ATOM     12  O   LIG    1       -3.754  -0.238  -3.197  0.00  0.00    -0.265 OA
ATOM     13  C   LIG    1       -2.520   0.487   0.066  0.00  0.00    +0.169 A 
ATOM     14  N   LIG    1       -1.250   0.724   0.502  0.00  0.00    -0.204 NA
ENDROOT
BRANCH   1  15
ATOM     15  S   LIG    1        1.188   0.809  -0.730  0.00  0.00    -0.087 S 
BRANCH  15  16
ATOM     16  C   LIG    1        1.654   0.914   1.032  0.00  0.00    +0.088 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.154   1.115   1.196  0.00  0.00    +0.131 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.937  -0.130   0.865  0.00  0.00    +0.308 C 
ATOM     19  O   LIG    1        3.549  -1.274   1.050  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1        5.163   0.211   0.375  0.00  0.00    -0.465 OA
BRANCH  20  22
ATOM     21  C   LIG    1        7.306  -0.377  -0.502  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1        5.995  -0.907   0.044  0.00  0.00    +0.229 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6