REMARK  Name = BDB024564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.431  -0.862  -0.413  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.580   0.094   0.174  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.196   1.422   0.361  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.362   2.143  -0.987  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.456   2.295   1.372  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.001   2.424   0.980  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.393   1.057   0.844  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.011   0.884   1.087  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.068   1.824   1.420  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.075   1.177   1.559  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.899  -0.168   1.306  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.438  -0.376   1.029  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.189  -1.516   0.759  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.556  -1.334   0.499  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.176  -0.072   0.481  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.651  -0.721  -0.482  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.669  -2.858  -1.628  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.801  -1.929  -0.977  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.891  -1.228   1.379  0.00  0.00    +0.142 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.295  -1.800   0.001  0.00  0.00    +0.073 C 
ATOM     21  N   LIG    1       -3.292  -0.943  -0.658  0.00  0.00    -0.312 NA
ATOM     22  H   LIG    1       -2.920   0.003  -0.779  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -3.681  -1.457  -1.971  0.00  0.00    +0.081 C 
ATOM     24  C   LIG    1       -4.284  -2.854  -1.861  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -3.333  -3.808  -1.147  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -2.875  -3.215   0.183  0.00  0.00    +0.020 C 
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  27
ATOM     27  C   LIG    1       -2.366   1.830   1.957  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.234   2.237   0.787  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -2.718   3.034  -0.248  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.525   3.416  -1.320  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.859   3.017  -1.367  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.388   2.240  -0.338  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.582   1.857   0.736  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5