REMARK  Name = BDB052533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.560  -0.495   0.608  0.00  0.00    +0.084 A 
ATOM      2  N   LIG    1        2.469   0.088   0.067  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        1.261  -0.339   0.467  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1        1.094  -1.321   1.362  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        2.197  -1.886   1.877  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1        3.470  -1.510   1.534  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        7.151   0.792  -0.147  0.00  0.00    +0.159 A 
ATOM      8  S   LIG    1        6.238   0.059   1.111  0.00  0.00    -0.051 S 
ATOM      9  C   LIG    1        4.836   0.035   0.114  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1        5.157   0.600  -1.114  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.255   0.793  -2.282  0.00  0.00    +0.067 C 
ATOM     12  N   LIG    1        6.475   1.016  -1.246  0.00  0.00    -0.230 NA
BRANCH   7  14
ATOM     13  C   LIG    1        9.374   0.404   0.784  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1        8.456   1.142  -0.052  0.00  0.00    -0.327 N 
ATOM     15  H   LIG    1        8.844   1.421  -0.949  0.00  0.00    +0.148 HD
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  N   LIG    1        0.186   0.316  -0.126  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        0.540   1.031  -0.744  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.202   0.219  -0.002  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -2.008   1.067  -0.772  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -3.409   1.017  -0.704  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -4.068   0.105   0.128  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1       -3.254  -0.731   0.905  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -1.853  -0.680   0.839  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  N   LIG    1       -5.464   0.019   0.240  0.00  0.00    -0.326 N 
ATOM     25  C   LIG    1       -6.280   1.108  -0.339  0.00  0.00    +0.133 C 
ATOM     26  C   LIG    1       -7.749   0.938   0.078  0.00  0.00    +0.178 C 
ATOM     27  O   LIG    1       -8.263  -0.341  -0.328  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1       -7.498  -1.391   0.286  0.00  0.00    +0.178 C 
ATOM     29  C   LIG    1       -6.012  -1.318  -0.101  0.00  0.00    +0.133 C 
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5