REMARK  Name = BDB042762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.859   3.038   0.294  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1        0.077   1.941  -0.229  0.00  0.00    +0.081 C 
ATOM      3  C   LIG    1        0.376   0.874   0.843  0.00  0.00    +0.093 C 
ATOM      4  C   LIG    1       -0.783  -0.101   1.010  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -1.699  -0.289  -0.125  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -2.719  -1.226   0.005  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -2.858  -1.942   1.280  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1       -1.943  -1.624   2.256  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1       -2.017  -2.115   3.142  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1       -3.747  -2.769   1.447  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -3.580  -1.477  -1.062  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -3.386  -0.785  -2.250  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1       -4.190  -1.030  -3.292  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -2.367   0.158  -2.382  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -1.528   0.449  -1.302  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1       -0.912  -0.739   2.136  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1       -0.473   1.355  -1.462  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1       -0.638   2.043  -2.197  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1        1.705   0.168   0.591  0.00  0.00    -0.001 A 
ATOM     20  C   LIG    1        2.853   0.617   1.256  0.00  0.00    +0.128 A 
ATOM     21  F   LIG    1        2.771   1.661   2.094  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        4.096   0.022   1.062  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1        4.215  -1.048   0.175  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        3.086  -1.504  -0.513  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        1.841  -0.898  -0.311  0.00  0.00    +0.008 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.488  -1.669  -0.037  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1        6.521  -2.170  -0.211  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH   3  19
TORSDOF 2