REMARK VINA RESULT: -4.9 2.489 4.971 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 10.029 -13.217 5.777 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 10.469 -12.638 7.038 0.00 0.00 0.065 C ATOM 3 C UNL d 1 11.094 -13.745 7.918 0.00 0.00 0.079 C ATOM 4 C UNL d 1 10.721 -14.946 7.138 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 10.136 -14.574 5.937 0.00 0.00 0.110 A ATOM 6 C UNL d 1 9.240 -12.016 7.712 0.00 0.00 0.046 C ATOM 7 C UNL d 1 11.493 -11.549 6.710 0.00 0.00 0.046 C ATOM 8 C UNL d 1 10.926 -16.279 7.450 0.00 0.00 0.010 A ATOM 9 C UNL d 1 9.727 -15.520 5.012 0.00 0.00 0.114 A ATOM 10 C UNL d 1 10.534 -17.245 6.521 0.00 0.00 0.003 A ATOM 11 C UNL d 1 9.947 -16.870 5.300 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 9.181 -15.058 3.798 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 8.836 -15.934 2.776 0.00 0.00 0.365 C ATOM 14 O UNL d 1 8.070 -16.886 2.863 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 9.447 -15.656 1.583 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 10.326 -14.553 1.288 0.00 0.00 0.151 C ATOM 17 H UNL d 1 9.205 -16.304 0.845 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2