REMARK VINA RESULT: -5.9 0.000 0.000 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 12.696 0.872 -9.965 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 13.080 0.239 -8.711 0.00 0.00 0.065 C ATOM 3 C UNL d 1 12.570 1.097 -7.530 0.00 0.00 0.079 C ATOM 4 C UNL d 1 12.132 2.311 -8.253 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 12.219 2.110 -9.622 0.00 0.00 0.110 A ATOM 6 C UNL d 1 14.608 0.126 -8.700 0.00 0.00 0.046 C ATOM 7 C UNL d 1 12.452 -1.156 -8.692 0.00 0.00 0.046 C ATOM 8 C UNL d 1 11.646 3.500 -7.735 0.00 0.00 0.010 A ATOM 9 C UNL d 1 11.834 3.092 -10.520 0.00 0.00 0.114 A ATOM 10 C UNL d 1 11.239 4.494 -8.628 0.00 0.00 0.003 A ATOM 11 C UNL d 1 11.320 4.289 -10.015 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 11.912 2.792 -11.895 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 10.771 2.637 -12.672 0.00 0.00 0.365 C ATOM 14 O UNL d 1 10.043 1.652 -12.704 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 10.488 3.721 -13.457 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 11.198 4.974 -13.505 0.00 0.00 0.151 C ATOM 17 H UNL d 1 9.666 3.599 -14.033 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2