REMARK VINA RESULT: -6.4 2.168 4.519 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 -3.423 -2.186 4.461 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -4.536 -3.090 4.717 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -4.255 -3.893 6.008 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -2.842 -3.527 6.246 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -2.441 -2.552 5.346 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -4.668 -4.014 3.501 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -5.797 -2.234 4.862 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -1.980 -3.993 7.224 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -1.165 -2.016 5.384 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -0.694 -3.452 7.285 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -0.288 -2.459 6.378 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -0.852 -0.998 4.461 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -0.846 0.341 4.830 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -0.656 0.783 5.957 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -1.086 1.199 3.791 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -1.275 0.859 2.404 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -1.096 2.172 4.065 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2