REMARK  Name = BDB003799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.502   1.108   1.602  0.00  0.00    +0.086 A 
ATOM      2  N   LIG    1       -2.381   1.413   2.609  0.00  0.00    -0.134 NA
ATOM      3  N   LIG    1       -3.599   1.071   2.215  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1       -3.501   0.578   0.967  0.00  0.00    -0.240 N 
ATOM      5  C   LIG    1       -2.201   0.549   0.554  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -4.691   0.057   0.306  0.00  0.00    +0.195 C 
ATOM      7  C   LIG    1       -4.929   0.727  -1.040  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -4.101   1.394  -1.653  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1       -6.210   0.603  -1.527  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -6.402   1.365  -2.172  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1       -6.597  -0.511  -2.221  0.00  0.00    +0.219 C 
ATOM     12  O   LIG    1       -7.235  -0.366  -3.264  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -6.135  -1.881  -1.779  0.00  0.00    +0.096 C 
ATOM     14  C   LIG    1       -5.958  -2.072  -0.281  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -4.651  -1.468   0.227  0.00  0.00    +0.037 C 
ENDBRANCH   4   6
BRANCH   1  20
ATOM     16  C   LIG    1        3.548   0.514  -0.526  0.00  0.00    +0.403 C 
ATOM     17  N   LIG    1        2.386   0.723   0.199  0.00  0.00    -0.267 N 
ATOM     18  C   LIG    1        2.222   0.261   1.574  0.00  0.00    +0.112 C 
ATOM     19  C   LIG    1        0.754   0.080   1.935  0.00  0.00    +0.029 C 
ATOM     20  C   LIG    1       -0.040   1.386   1.757  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        0.513   2.268   0.622  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1        1.287   1.459  -0.413  0.00  0.00    +0.112 C 
ATOM     23  O   LIG    1        3.689   0.858  -1.692  0.00  0.00    -0.226 OA
BRANCH  16  24
ATOM     24  O   LIG    1        4.502  -0.109   0.213  0.00  0.00    -0.445 OA
BRANCH  24  26
ATOM     25  C   LIG    1        6.565  -1.107   0.793  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        5.802  -0.419  -0.350  0.00  0.00    +0.107 C 
ATOM     27  C   LIG    1        6.558   0.854  -0.745  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        5.683  -1.404  -1.519  0.00  0.00    +0.055 C 
ENDBRANCH  24  26
ENDBRANCH  16  24
ENDBRANCH   1  20
TORSDOF 4