REMARK VINA RESULT: -6.1 3.089 4.469 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 -17.950 21.104 -26.888 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -18.422 20.862 -25.532 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -17.328 21.290 -24.527 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -16.196 21.524 -25.450 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -16.620 21.415 -26.765 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -18.735 19.366 -25.414 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -19.700 21.681 -25.340 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -14.886 21.856 -25.147 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -15.750 21.623 -27.822 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -14.000 22.085 -26.202 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -14.430 21.981 -27.536 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -16.271 21.535 -29.129 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -16.360 20.320 -29.796 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -17.180 19.434 -29.585 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -15.413 20.155 -30.769 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -14.415 21.108 -31.187 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -15.471 19.264 -31.243 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2