REMARK  Name = BDB052854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.700  -1.982  -0.787  0.00  0.00    -0.290 N 
ATOM      2  H   LIG    1        2.224  -2.631  -1.371  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        2.043   2.356   1.263  0.00  0.00    +0.067 C 
ATOM      4  C   LIG    1        2.693   1.299   0.417  0.00  0.00    +0.057 A 
ATOM      5  N   LIG    1        1.928   0.163   0.201  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1        2.406  -0.821  -0.528  0.00  0.00    +0.167 A 
ATOM      7  C   LIG    1        3.741  -0.684  -1.090  0.00  0.00    +0.179 A 
ATOM      8  N   LIG    1        4.474   0.452  -0.859  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        5.673   0.281  -1.515  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1        5.575  -0.968  -2.105  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1        4.369  -1.567  -1.837  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.932   1.462  -0.088  0.00  0.00    +0.116 A 
BRANCH   9  13
ATOM     13  C   LIG    1        6.895   1.230  -1.611  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        8.050   0.950  -2.305  0.00  0.00    +0.115 A 
ATOM     15  N   LIG    1        8.866   2.032  -2.140  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        9.799   2.179  -2.511  0.00  0.00    +0.188 HD
ATOM     17  N   LIG    1        8.320   2.998  -1.384  0.00  0.00    -0.182 NA
ATOM     18  C   LIG    1        7.119   2.507  -1.064  0.00  0.00    +0.144 A 
ENDBRANCH   9  13
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  C   LIG    1        0.455  -2.359  -0.405  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1       -0.216  -3.874  -0.878  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1       -1.671  -3.688  -0.110  0.00  0.00    -0.212 NA
ATOM     22  C   LIG    1       -1.669  -2.502   0.494  0.00  0.00    +0.072 A 
ATOM     23  C   LIG    1       -0.491  -1.711   0.364  0.00  0.00    +0.058 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -2.931  -1.984   1.322  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1       -2.747  -1.827   2.822  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1       -3.530  -2.986   2.296  0.00  0.00    +0.031 C 
BRANCH  24  27
ATOM     27  N   LIG    1       -3.767  -1.008   0.595  0.00  0.00    -0.287 NA
ATOM     28  C   LIG    1       -5.215  -1.192   0.592  0.00  0.00    +0.116 C 
ATOM     29  C   LIG    1       -5.930  -0.128  -0.273  0.00  0.00    +0.130 C 
ATOM     30  C   LIG    1       -5.645  -0.296  -1.763  0.00  0.00    +0.039 C 
ATOM     31  O   LIG    1       -5.610   1.228   0.088  0.00  0.00    -0.371 OA
ATOM     32  C   LIG    1       -4.523   1.345   1.017  0.00  0.00    +0.130 C 
ATOM     33  C   LIG    1       -4.067   2.799   1.005  0.00  0.00    +0.039 C 
ATOM     34  C   LIG    1       -3.354   0.398   0.673  0.00  0.00    +0.116 C 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   1  19
TORSDOF 5