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      45.644  63.266  56.740  0.00  0.00    -0.337 OA
ATOM      2  C   UNL d   1      46.148  63.556  55.404  0.00  0.00     0.065 C 
ATOM      3  C   UNL d   1      45.343  64.729  54.799  0.00  0.00     0.079 C 
ATOM      4  C   UNL d   1      44.255  64.845  55.795  0.00  0.00    -0.019 A 
ATOM      5  C   UNL d   1      44.495  64.001  56.868  0.00  0.00     0.110 A 
ATOM      6  C   UNL d   1      45.993  62.281  54.567  0.00  0.00     0.046 C 
ATOM      7  C   UNL d   1      47.629  63.915  55.541  0.00  0.00     0.046 C 
ATOM      8  C   UNL d   1      43.148  65.677  55.774  0.00  0.00     0.010 A 
ATOM      9  C   UNL d   1      43.634  63.951  57.951  0.00  0.00     0.114 A 
ATOM     10  C   UNL d   1      42.278  65.649  56.866  0.00  0.00     0.003 A 
ATOM     11  C   UNL d   1      42.524  64.799  57.957  0.00  0.00     0.040 A 
ENDROOT
BRANCH   9  12
ATOM     12  O   UNL d   1      43.973  63.098  59.020  0.00  0.00    -0.259 OA
BRANCH  12  13
ATOM     13  C   UNL d   1      44.670  63.562  60.129  0.00  0.00     0.365 C 
ATOM     14  O   UNL d   1      45.863  63.838  60.173  0.00  0.00    -0.238 OA
ATOM     15  N   UNL d   1      43.895  63.700  61.248  0.00  0.00    -0.341 N 
ATOM     16  C   UNL d   1      42.476  63.477  61.361  0.00  0.00     0.151 C 
ATOM     17  H   UNL d   1      44.408  64.024  62.057  0.00  0.00     0.164 HD
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 2