REMARK  Name = BDB003100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.014   2.531  -0.658  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.122   1.353  -0.345  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.059   0.507  -0.041  0.00  0.00    -0.264 N 
ATOM      4  H   LIG    1        0.289  -0.320   0.488  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.470   0.799  -0.079  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        3.483   1.658   0.330  0.00  0.00    +0.123 A 
ATOM      7  N   LIG    1        4.746   1.251   0.610  0.00  0.00    -0.263 NA
ATOM      8  C   LIG    1        5.015  -0.062   0.447  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        4.078  -0.991   0.019  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.783  -0.552  -0.251  0.00  0.00    +0.016 A 
ENDBRANCH   2   5
BRANCH   3  11
ATOM     11  C   LIG    1       -1.176   0.414  -0.689  0.00  0.00    +0.137 C 
ATOM     12  S   LIG    1       -1.592   1.192  -2.108  0.00  0.00    -0.018 S 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.006  -0.473  -0.002  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1       -1.784  -0.626   0.975  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.347  -0.809  -0.387  0.00  0.00    +0.072 C 
ATOM     16  C   LIG    1       -4.327  -1.324   0.634  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -4.510   0.042   0.043  0.00  0.00    +0.024 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   3  11
TORSDOF 4