REMARK  Name = BDB028390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.351   1.696   0.014  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.004   0.489  -0.284  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.248   0.198   0.290  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.845   1.123   1.142  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.155   0.811   1.734  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.701  -0.401   1.389  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.605  -0.633   1.789  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.138  -1.331   0.571  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        4.717   1.596   2.490  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        2.210   2.336   1.432  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.977  -1.071   0.041  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.965   2.620   0.868  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -4.398   1.450  -1.490  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -3.037   1.860  -1.226  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -2.053   1.152  -0.567  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1       -0.948   1.996  -0.562  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -1.382   3.167  -1.219  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1       -2.649   3.088  -1.623  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1       -2.243  -0.186  -0.001  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1       -2.547  -1.286  -0.811  0.00  0.00    +0.133 A 
ATOM     21  F   LIG    1       -2.691  -1.130  -2.136  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -2.697  -2.562  -0.274  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -2.542  -2.755   1.098  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -2.239  -1.671   1.922  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.089  -0.393   1.377  0.00  0.00    +0.013 A 
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  26
ATOM     26  C   LIG    1        2.328  -2.116  -0.874  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1        3.168  -3.315  -0.981  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1        3.356  -3.645  -0.031  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1        4.091  -3.015  -1.304  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 4