REMARK  Name = BDB021362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.279   3.609  -0.626  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1       -1.260   2.661  -0.768  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1       -0.920   1.682   0.053  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        0.281   1.951   0.681  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.880   1.057   1.587  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.271  -0.051   1.911  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1       -0.929  -0.328   1.290  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -1.565   0.455   0.390  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        0.672   3.208   0.283  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.845  -0.012  -0.196  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1       -3.038   0.045  -1.586  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -4.242  -0.395  -2.112  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -4.705  -0.411  -3.530  0.00  0.00    +0.117 C 
ATOM     14  N   LIG    1       -5.934  -1.248  -3.532  0.00  0.00    -0.308 NA
ATOM     15  H   LIG    1       -5.629  -2.203  -3.718  0.00  0.00    +0.123 HD
ATOM     16  C   LIG    1       -6.437  -1.233  -2.134  0.00  0.00    +0.117 C 
ATOM     17  C   LIG    1       -5.258  -0.874  -1.293  0.00  0.00    -0.029 A 
ATOM     18  C   LIG    1       -5.107  -0.923   0.080  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -3.893  -0.490   0.626  0.00  0.00    +0.009 A 
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  N   LIG    1       -0.308   5.858  -1.916  0.00  0.00    -0.189 NA
ATOM     21  C   LIG    1       -0.316   4.845  -1.347  0.00  0.00    +0.121 C 
ENDBRANCH   1  21
BRANCH   5  22
ATOM     22  N   LIG    1        2.100   1.333   2.170  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        2.240   0.633   2.897  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.315   1.412   1.361  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.647   0.090   0.731  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        4.269  -0.944   1.423  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.693  -1.034   2.841  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1        5.540  -2.305   2.769  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1        5.122  -3.084   1.627  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        4.520  -2.165   0.808  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        4.167  -2.419  -0.502  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1        3.546  -1.397  -1.218  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        3.294  -0.164  -0.602  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1        2.683   0.794  -1.316  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 5