REMARK VINA RESULT: -3.1 0.999 1.343 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 -3.470 -17.274 5.259 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -2.155 -17.463 5.856 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -1.821 -16.247 6.750 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -2.922 -15.332 6.375 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -3.821 -15.980 5.542 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -1.146 -17.609 4.711 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -2.205 -18.754 6.676 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -3.137 -14.025 6.780 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -4.959 -15.344 5.078 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -4.289 -13.375 6.332 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -5.205 -14.033 5.494 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -5.844 -16.087 4.271 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -5.537 -16.400 2.952 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -4.769 -17.277 2.575 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -6.184 -15.618 2.035 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -7.156 -14.587 2.298 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -5.947 -15.838 1.077 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2