REMARK  Name = BDB012726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.386  -0.649  -0.476  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        1.223  -0.715  -1.894  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.151  -0.822  -2.102  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -0.722  -0.905  -3.381  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        0.148  -0.882  -4.474  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        1.520  -0.778  -4.285  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1        2.327  -0.758  -5.355  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1       -0.697  -0.815  -0.843  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1        2.082  -0.693  -3.011  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.207  -0.699   0.146  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        2.608  -0.526   0.099  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1        3.414  -0.510  -0.533  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1        4.329  -0.208   1.837  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        3.014  -0.555   1.455  0.00  0.00    +0.063 A 
ATOM     15  C   LIG    1        2.149  -0.852   2.508  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        2.493  -0.866   3.823  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1        3.765  -0.568   4.131  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.713  -0.232   3.186  0.00  0.00    +0.034 A 
BRANCH  13  21
ATOM     19  N   LIG    1        6.353   1.055   1.232  0.00  0.00    -0.219 N 
ATOM     20  H   LIG    1        6.233   1.609   2.079  0.00  0.00    +0.167 HD
ATOM     21  C   LIG    1        5.318   0.192   0.794  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1        5.204  -0.214  -0.355  0.00  0.00    -0.269 OA
BRANCH  19  24
ATOM     23  N   LIG    1        7.864   1.891  -0.560  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1        7.146   1.475   0.246  0.00  0.00    +0.173 C 
ENDBRANCH  19  24
ENDBRANCH  13  21
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  25
ATOM     25  C   LIG    1       -2.106  -0.906  -0.499  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.736   0.483  -0.368  0.00  0.00    +0.107 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.188   0.429  -0.140  0.00  0.00    -0.301 NA
ATOM     28  C   LIG    1       -4.550  -0.117   1.172  0.00  0.00    +0.084 C 
ATOM     29  C   LIG    1       -5.997   0.321   1.351  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -6.167   1.527   0.435  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1       -4.790   1.765  -0.162  0.00  0.00    +0.084 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 7