REMARK  Name = BDB001639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.545  -0.949  -0.434  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1        0.230  -1.602  -1.145  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.893  -1.077  -0.241  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1        2.491  -1.831  -1.021  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.864   0.276   0.287  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -1.777  -0.466  -0.205  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -0.455  -0.132   0.126  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -0.236   0.983   0.935  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -1.313   1.729   1.429  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -2.624   1.377   1.112  0.00  0.00    +0.015 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -4.235  -0.150  -0.101  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1       -4.459  -1.107  -0.827  0.00  0.00    -0.245 OA
BRANCH  11  14
ATOM     13  C   LIG    1       -6.513   0.309   0.128  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1       -5.168   0.660   0.458  0.00  0.00    -0.464 OA
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   3  15
ATOM     15  C   LIG    1        2.595  -0.343   0.888  0.00  0.00    +0.173 C 
BRANCH  15  16
ATOM     16  S   LIG    1        4.213  -1.072   1.294  0.00  0.00    -0.077 S 
BRANCH  16  17
ATOM     17  C   LIG    1        5.149  -0.466  -0.014  0.00  0.00    +0.189 A 
ATOM     18  N   LIG    1        5.151  -1.074  -1.231  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1        4.583  -1.869  -1.492  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        5.960  -0.314  -2.017  0.00  0.00    +0.222 A 
ATOM     21  N   LIG    1        6.432   0.694  -1.316  0.00  0.00    -0.137 NA
ATOM     22  N   LIG    1        5.912   0.597  -0.039  0.00  0.00    -0.123 NA
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 6