REMARK  Name = BDB034077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.320  -2.934  -0.742  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.964  -4.172  -1.212  0.00  0.00    -0.304 N 
ATOM      3  H   LIG    1       -2.641  -4.028  -1.956  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1       -2.260  -5.187  -0.331  0.00  0.00    +0.211 C 
ATOM      5  O   LIG    1       -1.841  -5.239   0.820  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -3.155  -6.252  -0.904  0.00  0.00    +0.109 C 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      7  N   LIG    1       -2.155  -0.761   0.096  0.00  0.00    -0.302 N 
ATOM      8  H   LIG    1       -1.166  -0.604   0.295  0.00  0.00    +0.150 HD
ATOM      9  C   LIG    1       -2.443  -1.878  -0.658  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1       -3.507  -2.016  -1.267  0.00  0.00    -0.274 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -3.001   0.422  -0.010  0.00  0.00    +0.161 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.604   1.227  -1.270  0.00  0.00    +0.231 C 
ATOM     13  O   LIG    1       -1.628   0.974  -1.974  0.00  0.00    -0.274 OA
ATOM     14  N   LIG    1       -3.421   2.277  -1.590  0.00  0.00    -0.328 N 
ATOM     15  H   LIG    1       -4.380   2.298  -1.270  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -3.224   2.723  -2.478  0.00  0.00    +0.145 HD
ENDBRANCH  11  12
BRANCH  11  17
ATOM     17  C   LIG    1       -3.019   1.268   1.288  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1       -3.813   0.519   2.373  0.00  0.00    +0.010 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -0.822   2.587   0.987  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -1.642   1.657   1.866  0.00  0.00    +0.002 C 
ENDBRANCH  17  20
ENDBRANCH  11  17
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   1  21
ATOM     21  C   LIG    1       -0.244  -2.485  -1.737  0.00  0.00    +0.094 C 
BRANCH  21  22
ATOM     22  C   LIG    1        0.715  -1.484  -1.162  0.00  0.00    +0.082 A 
ATOM     23  S   LIG    1        1.919  -0.788  -2.171  0.00  0.00    -0.072 S 
ATOM     24  C   LIG    1        2.529   0.104  -0.832  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        1.767  -0.194   0.297  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1        2.108   0.411   1.521  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        3.186   1.303   1.582  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        3.940   1.607   0.443  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1        3.612   0.999  -0.783  0.00  0.00    +0.021 A 
ATOM     30  N   LIG    1        0.716  -1.076   0.090  0.00  0.00    -0.244 NA
BRANCH  28  31
ATOM     31  C   LIG    1        5.099   2.585   0.551  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1        6.433   1.918   0.206  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        4.870   3.826  -0.316  0.00  0.00    +0.012 C 
ENDBRANCH  28  31
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 9