REMARK VINA RESULT:      -4.0      2.465      3.897
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      44.544  63.991  55.993  0.00  0.00    -0.337 OA
ATOM      2  C   UNL d   1      45.852  63.388  55.780  0.00  0.00     0.065 C 
ATOM      3  C   UNL d   1      46.366  62.800  57.114  0.00  0.00     0.079 C 
ATOM      4  C   UNL d   1      45.365  63.356  58.052  0.00  0.00    -0.019 A 
ATOM      5  C   UNL d   1      44.361  64.005  57.351  0.00  0.00     0.110 A 
ATOM      6  C   UNL d   1      46.785  64.485  55.257  0.00  0.00     0.046 C 
ATOM      7  C   UNL d   1      45.685  62.294  54.722  0.00  0.00     0.046 C 
ATOM      8  C   UNL d   1      45.323  63.256  59.432  0.00  0.00     0.010 A 
ATOM      9  C   UNL d   1      43.286  64.584  58.004  0.00  0.00     0.114 A 
ATOM     10  C   UNL d   1      44.238  63.822  60.104  0.00  0.00     0.003 A 
ATOM     11  C   UNL d   1      43.215  64.474  59.395  0.00  0.00     0.040 A 
ENDROOT
BRANCH   9  12
ATOM     12  O   UNL d   1      42.285  65.187  57.215  0.00  0.00    -0.259 OA
BRANCH  12  13
ATOM     13  C   UNL d   1      42.346  66.530  56.864  0.00  0.00     0.365 C 
ATOM     14  O   UNL d   1      42.587  67.467  57.616  0.00  0.00    -0.238 OA
ATOM     15  N   UNL d   1      42.100  66.764  55.538  0.00  0.00    -0.341 N 
ATOM     16  C   UNL d   1      41.856  65.785  54.509  0.00  0.00     0.151 C 
ATOM     17  H   UNL d   1      42.130  67.744  55.289  0.00  0.00     0.164 HD
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 2