REMARK  Name = BDB003328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.167  -1.413  -0.358  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -0.165  -0.942  -0.260  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.212  -1.752   0.207  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.532  -1.270   0.215  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.842   0.036  -0.197  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -1.803   0.881  -0.610  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -0.944  -3.147   0.702  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.505  -3.281   1.138  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.488   0.367  -0.660  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.409  -2.820   0.005  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.413   1.097   0.923  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        2.311   0.338   0.750  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        2.322  -0.599  -0.227  0.00  0.00    +0.134 A 
ATOM     14  C   LIG    1        3.442  -0.773  -1.092  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        4.585   0.028  -0.861  0.00  0.00    -0.012 A 
ATOM     16  C   LIG    1        5.722  -0.110  -1.676  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        5.739  -1.020  -2.732  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.617  -1.793  -2.995  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        3.482  -1.667  -2.191  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.566   0.970   0.167  0.00  0.00    +0.041 A 
BRANCH  11  24
ATOM     21  C   LIG    1        4.407   3.023   4.019  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        4.434   2.169   2.858  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        5.055   1.371   2.874  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.341   2.126   2.004  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        2.371   2.868   2.110  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1       -4.256   0.438  -0.174  0.00  0.00    -0.041 C 
ATOM     27  C   LIG    1       -4.977   0.591  -1.489  0.00  0.00    +0.050 C 
ATOM     28  C   LIG    1       -6.503   0.555  -1.303  0.00  0.00    +0.086 C 
ATOM     29  N   LIG    1       -6.933   1.434  -0.213  0.00  0.00    -0.312 NA
ATOM     30  H   LIG    1       -7.947   1.421  -0.137  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1       -6.349   1.023   1.065  0.00  0.00    +0.108 C 
ATOM     32  C   LIG    1       -4.904   0.629   0.989  0.00  0.00    -0.008 C 
ENDBRANCH   5  26
BRANCH   6  33
ATOM     33  C   LIG    1       -2.016   2.310  -1.042  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1       -2.331   2.409  -2.365  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1       -2.998   2.971  -0.369  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 4