REMARK VINA RESULT: -6.2 3.482 5.164 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 -3.113 1.105 3.045 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -1.794 0.489 3.034 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -1.911 -0.978 3.507 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -3.310 -0.989 3.990 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -3.931 0.212 3.686 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -0.896 1.307 3.969 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -1.264 0.566 1.600 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -4.001 -2.013 4.617 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -5.260 0.437 4.006 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -5.346 -1.807 4.932 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -5.979 -0.592 4.619 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -5.828 1.669 3.624 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -6.956 1.729 2.814 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -6.976 1.664 1.591 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -8.125 1.881 3.509 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -8.291 1.921 4.940 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -8.942 1.940 2.917 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2