REMARK VINA RESULT: -7.1 0.859 1.281 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 5.656 4.584 3.305 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 6.905 3.855 3.136 0.00 0.00 0.065 C ATOM 3 C UNL d 1 6.595 2.363 2.878 0.00 0.00 0.079 C ATOM 4 C UNL d 1 5.145 2.338 3.175 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 4.680 3.625 3.394 0.00 0.00 0.110 A ATOM 6 C UNL d 1 7.725 4.043 4.416 0.00 0.00 0.046 C ATOM 7 C UNL d 1 7.641 4.479 1.947 0.00 0.00 0.046 C ATOM 8 C UNL d 1 4.286 1.253 3.204 0.00 0.00 0.010 A ATOM 9 C UNL d 1 3.343 3.872 3.660 0.00 0.00 0.114 A ATOM 10 C UNL d 1 2.932 1.487 3.456 0.00 0.00 0.003 A ATOM 11 C UNL d 1 2.457 2.791 3.672 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 2.944 5.213 3.829 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 2.658 5.734 5.084 0.00 0.00 0.365 C ATOM 14 O UNL d 1 3.446 5.861 6.015 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 1.355 6.123 5.235 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 0.315 6.098 4.238 0.00 0.00 0.151 C ATOM 17 H UNL d 1 1.146 6.488 6.155 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2