REMARK VINA RESULT:      -4.6      2.432      4.463
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      38.901 -38.570 -44.742  0.00  0.00    -0.337 OA
ATOM      2  C   UNL d   1      38.282 -39.628 -43.955  0.00  0.00     0.065 C 
ATOM      3  C   UNL d   1      36.759 -39.375 -43.869  0.00  0.00     0.079 C 
ATOM      4  C   UNL d   1      36.684 -38.011 -44.438  0.00  0.00    -0.019 A 
ATOM      5  C   UNL d   1      37.925 -37.625 -44.922  0.00  0.00     0.110 A 
ATOM      6  C   UNL d   1      38.931 -39.610 -42.567  0.00  0.00     0.046 C 
ATOM      7  C   UNL d   1      38.583 -40.955 -44.656  0.00  0.00     0.046 C 
ATOM      8  C   UNL d   1      35.581 -37.184 -44.561  0.00  0.00     0.010 A 
ATOM      9  C   UNL d   1      38.109 -36.398 -45.535  0.00  0.00     0.114 A 
ATOM     10  C   UNL d   1      35.747 -35.949 -45.191  0.00  0.00     0.003 A 
ATOM     11  C   UNL d   1      37.002 -35.559 -45.688  0.00  0.00     0.040 A 
ENDROOT
BRANCH   9  12
ATOM     12  O   UNL d   1      39.391 -36.100 -46.037  0.00  0.00    -0.259 OA
BRANCH  12  13
ATOM     13  C   UNL d   1      39.724 -36.331 -47.366  0.00  0.00     0.365 C 
ATOM     14  O   UNL d   1      39.582 -37.383 -47.978  0.00  0.00    -0.238 OA
ATOM     15  N   UNL d   1      40.259 -35.241 -47.997  0.00  0.00    -0.341 N 
ATOM     16  C   UNL d   1      40.445 -33.920 -47.453  0.00  0.00     0.151 C 
ATOM     17  H   UNL d   1      40.514 -35.417 -48.960  0.00  0.00     0.164 HD
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 2