REMARK VINA RESULT: -6.0 2.132 3.236 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 -5.516 -3.377 0.648 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -5.918 -2.743 -0.600 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -6.619 -1.401 -0.288 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -6.769 -1.515 1.180 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -6.113 -2.646 1.642 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -6.859 -3.710 -1.325 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -4.651 -2.524 -1.430 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -7.405 -0.651 2.055 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -6.079 -2.958 2.990 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -7.366 -0.944 3.420 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -6.696 -2.086 3.890 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -5.354 -4.102 3.382 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -5.960 -5.147 4.067 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -6.875 -5.851 3.656 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -5.443 -5.360 5.316 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -4.339 -4.670 5.933 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -5.896 -6.112 5.818 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2