MODEL 1
REMARK VINA RESULT:      -4.3      0.000      0.000
REMARK  2 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: O_2  and  C_12 
REMARK    2  A    between atoms: O_2  and  C_15 
REMARK       I    between atoms: N_4  and  C_15 
ROOT
ATOM      1  O   UNL d   1       7.251  -4.681  10.639  0.00  0.00    -0.337 OA
ATOM      2  C   UNL d   1       8.016  -5.134   9.486  0.00  0.00     0.065 C 
ATOM      3  C   UNL d   1       7.254  -4.768   8.192  0.00  0.00     0.079 C 
ATOM      4  C   UNL d   1       5.959  -4.334   8.761  0.00  0.00    -0.019 A 
ATOM      5  C   UNL d   1       6.032  -4.297  10.145  0.00  0.00     0.110 A 
ATOM      6  C   UNL d   1       8.195  -6.651   9.619  0.00  0.00     0.046 C 
ATOM      7  C   UNL d   1       9.379  -4.440   9.539  0.00  0.00     0.046 C 
ATOM      8  C   UNL d   1       4.805  -3.954   8.096  0.00  0.00     0.010 A 
ATOM      9  C   UNL d   1       4.954  -3.889  10.912  0.00  0.00     0.114 A 
ATOM     10  C   UNL d   1       3.714  -3.525   8.856  0.00  0.00     0.003 A 
ATOM     11  C   UNL d   1       3.789  -3.480  10.258  0.00  0.00     0.040 A 
ENDROOT
BRANCH   9  12
ATOM     12  O   UNL d   1       5.125  -3.838  12.310  0.00  0.00    -0.259 OA
BRANCH  12  13
ATOM     13  C   UNL d   1       4.442  -4.701  13.159  0.00  0.00     0.365 C 
ATOM     14  O   UNL d   1       3.936  -5.774  12.850  0.00  0.00    -0.238 OA
ATOM     15  N   UNL d   1       4.357  -4.252  14.448  0.00  0.00    -0.341 N 
ATOM     16  C   UNL d   1       4.936  -3.052  14.995  0.00  0.00     0.151 C 
ATOM     17  H   UNL d   1       3.846  -4.875  15.060  0.00  0.00     0.164 HD
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 2
ENDMDL
MODEL 2
REMARK VINA RESULT:      -3.0      0.847      1.266
REMARK  2 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: O_2  and  C_12 
REMARK    2  A    between atoms: O_2  and  C_15 
REMARK       I    between atoms: N_4  and  C_15 
ROOT
ATOM      1  O   UNL d   1       7.361  -4.933  10.514  0.00  0.00    -0.337 OA
ATOM      2  C   UNL d   1       8.091  -5.223   9.288  0.00  0.00     0.065 C 
ATOM      3  C   UNL d   1       7.292  -4.684   8.079  0.00  0.00     0.079 C 
ATOM      4  C   UNL d   1       6.015  -4.333   8.740  0.00  0.00    -0.019 A 
ATOM      5  C   UNL d   1       6.129  -4.485  10.113  0.00  0.00     0.110 A 
ATOM      6  C   UNL d   1       8.268  -6.743   9.207  0.00  0.00     0.046 C 
ATOM      7  C   UNL d   1       9.457  -4.542   9.395  0.00  0.00     0.046 C 
ATOM      8  C   UNL d   1       4.844  -3.867   8.168  0.00  0.00     0.010 A 
ATOM      9  C   UNL d   1       5.076  -4.187  10.960  0.00  0.00     0.114 A 
ATOM     10  C   UNL d   1       3.777  -3.547   9.011  0.00  0.00     0.003 A 
ATOM     11  C   UNL d   1       3.894  -3.694  10.403  0.00  0.00     0.040 A 
ENDROOT
BRANCH   9  12
ATOM     12  O   UNL d   1       5.288  -4.328  12.347  0.00  0.00    -0.259 OA
BRANCH  12  13
ATOM     13  C   UNL d   1       4.277  -4.076  13.266  0.00  0.00     0.365 C 
ATOM     14  O   UNL d   1       3.795  -2.982  13.534  0.00  0.00    -0.238 OA
ATOM     15  N   UNL d   1       3.822  -5.198  13.905  0.00  0.00    -0.341 N 
ATOM     16  C   UNL d   1       4.233  -6.560  13.677  0.00  0.00     0.151 C 
ATOM     17  H   UNL d   1       3.097  -5.009  14.584  0.00  0.00     0.164 HD
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 2
ENDMDL