REMARK  Name = BDB053469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.354  -0.889   0.944  0.00  0.00    -0.290 N 
ATOM      2  H   LIG    1        1.602  -1.489   1.729  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.461  -0.275   0.386  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1        3.769  -0.554   0.965  0.00  0.00    +0.179 A 
ATOM      5  N   LIG    1        4.896   0.033   0.443  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1        5.955  -0.424   1.197  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1        5.381  -1.266   2.134  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        4.774   0.888  -0.635  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1        3.547   1.114  -1.133  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1        4.019  -1.345   1.987  0.00  0.00    -0.232 NA
ATOM     11  N   LIG    1        2.388   0.546  -0.639  0.00  0.00    -0.235 NA
BRANCH   6  12
ATOM     12  C   LIG    1        7.467  -0.105   1.075  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        8.445  -0.625   1.891  0.00  0.00    +0.115 A 
ATOM     14  N   LIG    1        9.626  -0.099   1.454  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1       10.560  -0.259   1.818  0.00  0.00    +0.188 HD
ATOM     16  N   LIG    1        9.483   0.729   0.407  0.00  0.00    -0.182 NA
ATOM     17  C   LIG    1        8.166   0.723   0.178  0.00  0.00    +0.144 A 
ENDBRANCH   6  12
ENDBRANCH   1   3
BRANCH   1  21
ATOM     18  C   LIG    1       -2.018  -0.338  -0.363  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1       -2.453  -1.163   0.590  0.00  0.00    -0.213 NA
ATOM     20  S   LIG    1       -1.160  -1.688   1.478  0.00  0.00    +0.027 S 
ATOM     21  C   LIG    1        0.042  -0.815   0.611  0.00  0.00    +0.091 A 
ATOM     22  C   LIG    1       -0.603  -0.111  -0.386  0.00  0.00    +0.056 A 
BRANCH  18  26
ATOM     23  N   LIG    1       -5.982   0.239  -1.440  0.00  0.00    -0.181 NA
ATOM     24  C   LIG    1       -5.227   1.507  -1.328  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -3.912   1.299  -0.593  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1       -3.015   0.278  -1.315  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -3.833  -0.783  -2.071  0.00  0.00    +0.027 C 
ATOM     28  C   LIG    1       -5.189  -1.013  -1.415  0.00  0.00    +0.109 C 
BRANCH  23  30
ATOM     29  C   LIG    1       -7.246   0.158   0.952  0.00  0.00    +0.215 C 
ATOM     30  S   LIG    1       -7.548   0.179  -0.805  0.00  0.00    +0.029 S 
ATOM     31  O   LIG    1       -8.206   1.427  -1.126  0.00  0.00    -0.158 OA
ATOM     32  O   LIG    1       -8.134  -1.093  -1.170  0.00  0.00    -0.158 OA
ENDBRANCH  23  30
ENDBRANCH  18  26
ENDBRANCH   1  21
TORSDOF 5