REMARK  Name = BDB050605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.677  -1.636   2.358  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -1.740  -0.606   2.260  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -0.380  -0.921   2.257  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.048  -2.246   2.403  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.895  -3.267   2.524  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.257  -2.961   2.505  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.607   0.177   2.175  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1        1.578   0.132   1.174  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        1.336  -0.507  -0.130  0.00  0.00    +0.127 C 
ATOM     10  C   LIG    1        2.644  -0.858  -0.863  0.00  0.00    +0.124 C 
ATOM     11  N   LIG    1        3.520   0.328  -0.961  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1        3.815   0.926   0.367  0.00  0.00    +0.124 C 
ATOM     13  C   LIG    1        2.513   1.260   1.118  0.00  0.00    +0.127 C 
ATOM     14  O   LIG    1        0.535   1.070   3.015  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        4.643   0.251  -1.801  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        5.277   1.439  -2.211  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        6.392   1.424  -3.053  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        6.887   0.211  -3.504  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1        7.955   0.188  -4.311  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        6.283  -0.981  -3.131  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        5.165  -0.958  -2.289  0.00  0.00    +0.026 A 
ENDBRANCH  11  15
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  O   LIG    1       -4.034  -1.406   2.393  0.00  0.00    -0.456 OA
BRANCH  22  26
ATOM     23  C   LIG    1       -5.697   1.215  -0.392  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -5.923   1.384   0.981  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1       -5.354   0.496   1.897  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -4.542  -0.545   1.447  0.00  0.00    +0.128 A 
ATOM     27  C   LIG    1       -4.319  -0.727   0.081  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -4.887   0.160  -0.836  0.00  0.00    +0.016 A 
BRANCH  23  32
ATOM     29  N   LIG    1       -7.383   2.854  -1.058  0.00  0.00    -0.325 N 
ATOM     30  H   LIG    1       -7.826   3.370  -1.808  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1       -7.956   2.610  -0.265  0.00  0.00    +0.145 HD
ATOM     32  C   LIG    1       -6.277   2.131  -1.411  0.00  0.00    +0.242 C 
ATOM     33  O   LIG    1       -5.808   2.216  -2.539  0.00  0.00    -0.270 OA
ENDBRANCH  23  32
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5