REMARK  Name = BDB002749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.164  -0.487   0.461  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1        1.956  -1.265   0.763  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1        0.713  -0.372   0.578  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1        0.899   1.021   1.206  0.00  0.00    +0.014 C 
ATOM      5  C   LIG    1        2.094   1.055   2.151  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1        3.380   0.571   1.466  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.521  -1.068   1.148  0.00  0.00    +0.167 C 
ATOM      8  O   LIG    1       -0.429  -1.936   2.016  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -1.884  -0.686   0.653  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -2.100   0.330  -0.279  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -3.401   0.642  -0.705  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -4.520  -0.050  -0.215  0.00  0.00    -0.042 A 
ATOM     13  C   LIG    1       -4.283  -1.069   0.725  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -2.988  -1.383   1.153  0.00  0.00    +0.011 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -5.958   0.269  -0.663  0.00  0.00    -0.013 C 
ATOM     16  C   LIG    1       -6.051   1.412  -1.698  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -6.590  -0.984  -1.308  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1       -6.801   0.691   0.560  0.00  0.00    +0.015 C 
ENDBRANCH  12  15
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1        4.341  -1.362   0.327  0.00  0.00    +0.128 C 
BRANCH  19  23
ATOM     20  C   LIG    1        9.107   0.769  -0.691  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1        7.686   0.330  -0.736  0.00  0.00    +0.075 A 
ATOM     22  S   LIG    1        7.032  -0.598   0.555  0.00  0.00    -0.076 S 
ATOM     23  C   LIG    1        5.519  -0.641  -0.252  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        5.620   0.048  -1.444  0.00  0.00    +0.123 A 
ATOM     25  N   LIG    1        6.856   0.600  -1.720  0.00  0.00    -0.252 NA
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5