REMARK VINA RESULT: -4.7 2.143 4.147 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 -1.551 -0.146 10.705 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -0.675 -0.231 11.865 0.00 0.00 0.065 C ATOM 3 C UNL d 1 0.746 0.228 11.467 0.00 0.00 0.079 C ATOM 4 C UNL d 1 0.597 0.308 9.997 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -0.725 0.098 9.638 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -0.680 -1.688 12.340 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -1.264 0.675 12.950 0.00 0.00 0.046 C ATOM 8 C UNL d 1 1.560 0.592 9.044 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -1.130 0.155 8.315 0.00 0.00 0.114 A ATOM 10 C UNL d 1 1.165 0.668 7.706 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -0.176 0.462 7.341 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -2.500 -0.027 8.039 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -3.451 0.907 8.430 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -3.441 2.105 8.174 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -4.470 0.376 9.174 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -4.669 -1.009 9.520 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -5.153 1.060 9.470 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2