REMARK  Name = BDB056147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.864   0.327   2.101  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.079  -0.825   2.044  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -1.425  -1.282   3.195  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.574  -0.624   4.414  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.354   0.526   4.478  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.991   1.000   3.327  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.606   0.400  -0.300  0.00  0.00    +0.266 C 
ATOM      8  N   LIG    1       -3.550   0.879   0.998  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -4.076   1.717   1.192  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -3.067  -0.634  -0.681  0.00  0.00    -0.268 OA
BRANCH   7  16
ATOM     11  C   LIG    1       -6.378   3.993  -2.624  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.600   2.783  -2.266  0.00  0.00    +0.061 A 
ATOM     13  N   LIG    1       -5.424   1.808  -3.159  0.00  0.00    -0.176 NA
ATOM     14  N   LIG    1       -4.682   0.888  -2.508  0.00  0.00    -0.262 N 
ATOM     15  C   LIG    1       -4.302  -0.317  -3.213  0.00  0.00    +0.173 C 
ATOM     16  C   LIG    1       -4.385   1.231  -1.206  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -4.975   2.476  -1.038  0.00  0.00    +0.057 A 
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  O   LIG    1       -0.688  -2.441   3.168  0.00  0.00    -0.438 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.533  -2.384   2.493  0.00  0.00    +0.222 A 
ATOM     20  N   LIG    1        1.088  -1.182   2.213  0.00  0.00    -0.204 NA
ATOM     21  C   LIG    1        2.271  -1.281   1.575  0.00  0.00    +0.133 A 
ATOM     22  C   LIG    1        2.943  -2.448   1.217  0.00  0.00    +0.099 A 
ATOM     23  N   LIG    1        4.148  -2.253   0.572  0.00  0.00    -0.223 NA
ATOM     24  C   LIG    1        4.363  -0.968   0.455  0.00  0.00    +0.167 A 
ATOM     25  C   LIG    1        2.332  -3.667   1.549  0.00  0.00    +0.036 A 
ATOM     26  S   LIG    1        3.171   0.082   1.087  0.00  0.00    -0.032 S 
ATOM     27  C   LIG    1        1.100  -3.621   2.203  0.00  0.00    +0.070 A 
BRANCH  24  28
ATOM     28  N   LIG    1        5.422  -0.315  -0.112  0.00  0.00    -0.264 N 
ATOM     29  H   LIG    1        5.394   0.692  -0.116  0.00  0.00    +0.157 HD
ATOM     30  C   LIG    1        6.484  -0.978  -0.666  0.00  0.00    +0.222 C 
ATOM     31  O   LIG    1        6.686  -2.180  -0.727  0.00  0.00    -0.275 OA
BRANCH  30  32
ATOM     32  C   LIG    1        7.508  -0.048  -1.222  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1        7.146   1.010  -2.240  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        7.938  -0.192  -2.664  0.00  0.00    +0.013 C 
ENDBRANCH  30  32
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6