REMARK  Name = BDB027189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.143   0.130  -0.690  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.458  -1.117  -0.132  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1       -1.741  -1.245   0.409  0.00  0.00    +0.134 A 
ATOM      4  N   LIG    1       -2.678  -0.267   0.450  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1       -2.349   0.941  -0.061  0.00  0.00    +0.071 A 
ATOM      6  C   LIG    1       -1.101   1.161  -0.643  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -3.388   1.987   0.036  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.066   3.349   0.169  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.069   4.312   0.255  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1       -3.730   5.603   0.379  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -5.411   3.961   0.217  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -5.759   2.620   0.097  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -4.756   1.647   0.010  0.00  0.00    +0.010 A 
ENDBRANCH   5   7
BRANCH   2  14
ATOM     14  N   LIG    1        0.483  -2.164  -0.154  0.00  0.00    -0.327 N 
ATOM     15  C   LIG    1        0.212  -3.114  -1.262  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1        1.125  -4.351  -1.123  0.00  0.00    +0.068 C 
ATOM     17  C   LIG    1        0.781  -5.117   0.164  0.00  0.00    +0.021 C 
ATOM     18  C   LIG    1        0.226  -4.206   1.264  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1        0.756  -2.779   1.166  0.00  0.00    +0.105 C 
BRANCH  16  20
ATOM     20  N   LIG    1        1.049  -5.256  -2.274  0.00  0.00    -0.326 NA
ATOM     21  H   LIG    1        1.381  -4.778  -3.111  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        1.678  -6.046  -2.131  0.00  0.00    +0.119 HD
ENDBRANCH  16  20
ENDBRANCH   2  14
BRANCH   1  23
ATOM     23  C   LIG    1        1.209   0.421  -1.290  0.00  0.00    +0.161 C 
BRANCH  23  28
ATOM     24  C   LIG    1        3.668   3.455   1.574  0.00  0.00    +0.147 A 
ATOM     25  C   LIG    1        3.305   2.218   1.015  0.00  0.00    +0.147 A 
ATOM     26  N   LIG    1        3.780   0.934   1.204  0.00  0.00    -0.231 NA
ATOM     27  C   LIG    1        3.051   0.188   0.399  0.00  0.00    +0.202 A 
ATOM     28  N   LIG    1        2.133   0.929  -0.296  0.00  0.00    -0.310 N 
ATOM     29  C   LIG    1        2.292   2.237   0.069  0.00  0.00    +0.166 A 
ATOM     30  N   LIG    1        1.621   3.311  -0.384  0.00  0.00    -0.216 NA
ATOM     31  C   LIG    1        2.062   4.436   0.215  0.00  0.00    +0.225 A 
ATOM     32  N   LIG    1        3.035   4.569   1.143  0.00  0.00    -0.219 NA
BRANCH  24  33
ATOM     33  N   LIG    1        4.666   3.594   2.530  0.00  0.00    -0.341 N 
ATOM     34  H   LIG    1        5.050   4.529   2.548  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1        5.313   2.814   2.553  0.00  0.00    +0.144 HD
ENDBRANCH  24  33
ENDBRANCH  23  28
ENDBRANCH   1  23
TORSDOF 6