REMARK  Name = BDB046297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.560  -2.583  -0.681  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -4.625  -1.900  -0.277  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -4.440  -0.490  -0.723  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -3.352   0.260  -0.238  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -3.217   1.587  -0.681  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -4.135   2.144  -1.577  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.205   1.385  -2.047  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.410  -0.362   0.700  0.00  0.00    +0.097 A 
ATOM      9  C   LIG    1       -2.614  -1.685   1.098  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1       -1.722  -2.264   1.987  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -0.650  -1.503   2.447  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1       -0.499  -0.193   2.001  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1       -1.364   0.382   1.144  0.00  0.00    -0.230 NA
ATOM     14  C   LIG    1       -5.360   0.068  -1.621  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.703  -2.413   0.607  0.00  0.00    -0.320 N 
ATOM     16  H   LIG    1       -3.854  -3.372   0.895  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  12  17
ATOM     17  N   LIG    1        0.547   0.621   2.423  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        0.385   1.514   1.960  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.902   0.116   2.171  0.00  0.00    +0.118 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.239   0.062   0.660  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.606  -0.419   0.379  0.00  0.00    -0.297 NA
ATOM     22  C   LIG    1        4.654   0.575   0.706  0.00  0.00    +0.112 C 
ATOM     23  C   LIG    1        4.739   1.756  -0.278  0.00  0.00    +0.175 C 
ATOM     24  O   LIG    1        4.906   1.303  -1.626  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1        3.844   0.418  -2.001  0.00  0.00    +0.175 C 
ATOM     26  C   LIG    1        3.761  -0.787  -1.049  0.00  0.00    +0.112 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  12  17
TORSDOF 4