REMARK  Name = BDB063848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.390  -3.219   1.833  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.198  -2.227   1.158  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.187  -1.286   0.571  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.504  -1.439   0.753  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.518  -0.297  -0.119  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.257  -0.587   0.023  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.017  -1.698   0.753  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.868  -2.104   0.988  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.572  -0.567   0.237  0.00  0.00    -0.021 A 
ATOM     10  C   LIG    1        5.734  -0.410   1.010  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        6.801   0.388   0.547  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        6.686   1.007  -0.699  0.00  0.00    +0.039 A 
ATOM     13  S   LIG    1        8.120   1.911  -1.012  0.00  0.00    -0.075 S 
ATOM     14  C   LIG    1        8.753   1.411   0.497  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.544   0.853  -1.497  0.00  0.00    +0.018 A 
ATOM     16  N   LIG    1        7.990   0.625   1.221  0.00  0.00    -0.247 NA
ATOM     17  C   LIG    1        4.500   0.055  -1.012  0.00  0.00    +0.009 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.714   0.181  -0.529  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.327   1.014  -0.966  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.154   0.187  -0.338  0.00  0.00    +0.035 C 
ATOM     21  C   LIG    1       -2.531   0.362   1.149  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1       -4.062   0.413   1.310  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1       -4.615   1.610   0.520  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -4.265   1.463  -0.969  0.00  0.00    -0.008 C 
ATOM     25  C   LIG    1       -4.884   0.165  -1.511  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -4.332  -1.042  -0.736  0.00  0.00    -0.008 C 
ATOM     27  C   LIG    1       -4.673  -0.886   0.756  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -2.737   1.395  -1.123  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1       -2.802  -1.097  -0.904  0.00  0.00    +0.029 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3