REMARK  Name = BDB039302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.672  -0.048   0.619  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.343   0.321  -0.673  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.066   0.768  -1.540  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.897   0.116  -0.819  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.392  -0.291   0.414  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.040  -0.546   0.564  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.202  -0.390  -0.554  0.00  0.00    -0.001 A 
ATOM      8  C   LIG    1        0.736   0.028  -1.795  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        2.102   0.287  -1.935  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.493  -0.355   1.417  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        9.030   2.175  -0.735  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        8.135   1.545  -0.175  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.340   2.154   0.760  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        7.501   3.143   0.883  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.258   1.637   1.425  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.530   2.367   2.100  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.975   0.146   1.247  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        7.134  -0.628   0.622  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.846   0.102  -0.502  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.239  -0.652  -0.429  0.00  0.00    +0.055 A 
ATOM     21  N   LIG    1       -1.773  -1.946  -0.452  0.00  0.00    -0.299 N 
ATOM     22  C   LIG    1       -3.127  -2.209  -0.316  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1       -3.245  -3.579  -0.381  0.00  0.00    +0.138 A 
ATOM     24  N   LIG    1       -2.019  -4.168  -0.555  0.00  0.00    -0.243 NA
ATOM     25  C   LIG    1       -4.015  -1.112  -0.154  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -3.538   0.154  -0.133  0.00  0.00    -0.029 A 
ATOM     27  C   LIG    1       -1.162  -3.170  -0.601  0.00  0.00    +0.204 A 
ATOM     28  C   LIG    1       -2.089   0.386  -0.272  0.00  0.00    +0.031 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -4.357   1.429   0.029  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -5.805   1.392   0.116  0.00  0.00    -0.298 NA
ATOM     31  C   LIG    1       -6.398   0.806   1.308  0.00  0.00    +0.085 C 
ATOM     32  C   LIG    1       -7.770   0.313   0.860  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -7.960   0.895  -0.532  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -6.543   0.991  -1.068  0.00  0.00    +0.085 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   7  20
TORSDOF 4