REMARK VINA RESULT: -3.4 1.641 2.003 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 -2.946 -17.151 5.146 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -1.957 -17.903 5.907 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -1.128 -16.926 6.771 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -1.584 -15.631 6.219 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -2.618 -15.832 5.318 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -1.073 -18.648 4.902 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -2.716 -18.905 6.780 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -1.143 -14.355 6.528 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -3.240 -14.768 4.687 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -1.771 -13.270 5.911 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -2.824 -13.472 5.002 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -4.311 -15.055 3.818 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -4.121 -15.764 2.638 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -3.303 -15.510 1.762 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -4.961 -16.836 2.498 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -5.937 -17.309 3.446 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -4.830 -17.341 1.632 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2