REMARK  Name = BDB024569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.386  -0.734  -0.373  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.310  -1.099   0.449  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.648  -1.944   1.604  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.880  -1.102   2.862  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.612  -3.047   1.790  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.233  -2.461   2.011  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.923  -1.348   1.048  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.581  -0.923   0.898  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.548  -1.453   1.472  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.566  -0.773   0.978  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.106   0.289   0.222  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.258   0.144   0.069  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.233   0.810  -0.673  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.562   0.385  -0.523  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.935  -0.686   0.304  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.563  -0.883  -0.050  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.955   1.303  -0.451  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.997   1.995   0.494  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1       -2.652   3.278  -0.206  0.00  0.00    -0.001 C 
ATOM     20  C   LIG    1       -3.565   3.818  -1.272  0.00  0.00    +0.089 C 
ATOM     21  N   LIG    1       -3.278   5.181  -0.754  0.00  0.00    -0.315 NA
ATOM     22  H   LIG    1       -2.571   5.676  -1.299  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -2.740   4.594   0.501  0.00  0.00    +0.089 C 
ATOM     24  C   LIG    1       -1.310   2.722  -0.609  0.00  0.00    +0.034 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        6.128   0.032  -2.466  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        5.030  -0.272  -1.605  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -3.002  -1.150   1.181  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.719  -1.570  -0.085  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -3.144  -2.502  -0.965  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.817  -2.894  -2.124  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.076  -2.373  -2.410  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.668  -1.465  -1.534  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.998  -1.072  -0.375  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 4