REMARK VINA RESULT: -7.1 2.636 5.167 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 1 113.350 86.207 51.909 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 113.536 85.088 52.822 0.00 0.00 0.065 C ATOM 3 C UNL d 1 113.347 83.762 52.049 0.00 0.00 0.079 C ATOM 4 C UNL d 1 112.816 84.277 50.767 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 112.857 85.662 50.752 0.00 0.00 0.110 A ATOM 6 C UNL d 1 112.502 85.232 53.943 0.00 0.00 0.046 C ATOM 7 C UNL d 1 114.950 85.195 53.397 0.00 0.00 0.046 C ATOM 8 C UNL d 1 112.366 83.563 49.668 0.00 0.00 0.010 A ATOM 9 C UNL d 1 112.443 86.383 49.645 0.00 0.00 0.114 A ATOM 10 C UNL d 1 111.960 84.276 48.538 0.00 0.00 0.003 A ATOM 11 C UNL d 1 112.008 85.680 48.519 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 112.558 87.787 49.695 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 111.737 88.556 50.510 0.00 0.00 0.365 C ATOM 14 O UNL d 1 110.511 88.565 50.505 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 112.421 89.362 51.378 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 113.849 89.438 51.558 0.00 0.00 0.151 C ATOM 17 H UNL d 1 111.821 89.931 51.960 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2