REMARK  Name = BDB063905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.305   1.733   1.314  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.562   2.930   1.887  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.086   3.541   2.349  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.891   3.188   1.796  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.505   4.155   2.199  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.397   1.988   1.078  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.688   1.847   0.753  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.346   1.136   0.821  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.292   0.715   0.032  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.855  -0.607   0.214  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.502  -1.641  -0.486  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.574  -1.394  -1.345  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.111  -2.511  -1.966  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.455  -3.581  -1.579  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.016  -0.068  -1.507  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.176  -3.334  -0.468  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.376   0.969  -0.814  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.975   1.278   1.305  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.707   1.943   1.515  0.00  0.00    +0.149 HD
BRANCH  18  22
ATOM     20  C   LIG    1       -3.599  -1.216   0.278  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -2.614  -0.534   1.232  0.00  0.00    +0.053 C 
ATOM     22  C   LIG    1       -1.389   0.101   0.546  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1       -1.556   0.455  -0.939  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -2.670   1.439  -1.283  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -4.011   1.218  -0.594  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -4.484  -0.232  -0.515  0.00  0.00    +0.031 C 
BRANCH  20  28
ATOM     27  C   LIG    1       -5.087  -3.086   0.345  0.00  0.00    +0.194 C 
ATOM     28  O   LIG    1       -4.438  -2.059   1.087  0.00  0.00    -0.380 OA
ENDBRANCH  20  28
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4