REMARK VINA RESULT: -6.7 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 -19.287 20.344 -24.342 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -20.711 20.230 -24.622 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -20.926 20.158 -26.152 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -19.565 20.492 -26.627 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -18.690 20.570 -25.555 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -21.399 21.459 -24.019 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -21.213 18.958 -23.934 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -19.122 20.670 -27.927 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -17.344 20.838 -25.743 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -17.764 20.926 -28.133 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -16.874 20.998 -27.048 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -16.513 20.857 -24.604 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -15.778 19.742 -24.222 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -16.207 18.605 -24.073 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -14.453 20.006 -24.000 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -13.772 21.263 -24.179 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -13.923 19.196 -23.708 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2