REMARK  Name = BDB016067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.192   2.271  -0.224  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.297   1.265  -0.263  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.016   1.568  -0.230  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.457   2.887  -0.118  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.457   3.843  -0.091  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.862   3.571  -0.153  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.399   0.204  -0.190  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.043   0.569  -0.167  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.624   1.913  -0.256  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.627   2.892  -0.374  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.980   2.546  -0.406  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.363   1.208  -0.317  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.534  -4.609   1.024  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.841  -3.315   0.464  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.946  -3.164  -0.287  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.922  -1.870  -0.619  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.800  -1.189  -0.091  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.121  -2.165   0.611  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.853   3.268  -0.013  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.429   4.354  -0.641  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.747   4.348  -0.283  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.765   5.283  -0.693  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.072   3.336   0.540  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.919   2.682   0.706  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.942   0.503  -0.261  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -2.682   0.720  -0.931  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.359  -0.814  -0.554  0.00  0.00    +0.143 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.461  -1.894  -0.618  0.00  0.00    +0.129 C 
ATOM     29  C   LIG    1       -1.899  -3.243  -1.076  0.00  0.00    +0.057 C 
ATOM     30  C   LIG    1       -1.071  -3.909   0.018  0.00  0.00    +0.084 C 
ATOM     31  N   LIG    1       -1.825  -4.050   1.262  0.00  0.00    -0.316 NA
ATOM     32  H   LIG    1       -2.610  -4.687   1.111  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -2.339  -2.767   1.748  0.00  0.00    +0.084 C 
ATOM     34  C   LIG    1       -3.209  -2.076   0.705  0.00  0.00    +0.057 C 
ATOM     35  F   LIG    1       -3.370  -1.488  -1.563  0.00  0.00    -0.240 F 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6