REMARK  Name = BDB063899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.234   0.421   1.290  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.410   0.210   2.613  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.193   0.493   3.362  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.611  -0.388   2.807  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.134  -0.717   3.853  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.124  -0.530   1.418  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.315  -1.084   1.158  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.208   0.004   0.537  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.936  -1.260  -0.166  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.336  -1.181  -0.255  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.952  -1.377  -1.504  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.214  -1.663  -2.655  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        5.958  -1.832  -3.812  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.232  -1.675  -3.538  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        3.814  -1.757  -2.551  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.627  -1.325  -1.910  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.192  -1.561  -1.310  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.875   1.024   0.792  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.878   1.029  -0.225  0.00  0.00    +0.149 HD
BRANCH  18  22
ATOM     20  C   LIG    1       -4.158   1.565  -0.171  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -3.053   2.137   0.730  0.00  0.00    +0.053 C 
ATOM     22  C   LIG    1       -2.187   1.071   1.421  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1       -2.841  -0.312   1.383  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -3.177  -0.773  -0.037  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -3.645   0.357  -0.954  0.00  0.00    +0.032 C 
BRANCH  20  27
ATOM     26  C   LIG    1       -5.851   2.412  -1.628  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1       -4.570   2.618  -1.047  0.00  0.00    -0.380 OA
ENDBRANCH  20  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4