REMARK  Name = BDB039329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.721  -0.245  -0.175  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.233   0.979   0.260  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.856   1.966   0.600  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.770   0.875   0.264  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.427  -0.430  -0.081  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.097  -0.809  -0.144  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.114   0.154   0.141  0.00  0.00    -0.001 A 
ATOM      8  C   LIG    1        0.484   1.472   0.493  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.829   1.843   0.558  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.661  -1.235  -0.309  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       10.067  -0.531   1.127  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        8.895  -0.489   0.765  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.878  -0.818   1.626  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.155  -1.059   2.567  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.539  -0.958   1.339  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.768  -1.413   2.183  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        6.123  -0.641  -0.106  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        7.082   0.372  -0.731  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        8.502  -0.168  -0.658  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.308  -0.216   0.085  0.00  0.00    +0.055 A 
ATOM     21  N   LIG    1       -2.022  -0.294  -1.118  0.00  0.00    -0.298 N 
ATOM     22  C   LIG    1       -3.362  -0.656  -1.193  0.00  0.00    +0.070 A 
ATOM     23  C   LIG    1       -3.660  -0.654  -2.539  0.00  0.00    +0.139 A 
ATOM     24  N   LIG    1       -2.574  -0.281  -3.287  0.00  0.00    -0.243 NA
ATOM     25  C   LIG    1       -4.078  -0.941   0.022  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1       -3.364  -0.890   1.174  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -1.616  -0.064  -2.413  0.00  0.00    +0.204 A 
ATOM     28  C   LIG    1       -1.960  -0.511   1.227  0.00  0.00    +0.027 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -5.541  -1.371   0.072  0.00  0.00    +0.121 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -6.563  -0.331   0.128  0.00  0.00    -0.298 NA
ATOM     31  C   LIG    1       -6.543   0.510   1.319  0.00  0.00    +0.085 C 
ATOM     32  C   LIG    1       -7.555   1.598   0.981  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -7.645   1.605  -0.543  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -6.613   0.586  -1.004  0.00  0.00    +0.085 C 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH   7  20
TORSDOF 4