REMARK VINA RESULT: -6.2 2.591 5.158 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 -1.701 -4.964 6.293 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -2.644 -4.399 7.248 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -2.469 -2.864 7.290 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -1.229 -2.716 6.497 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -0.859 -3.937 5.955 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -2.352 -5.032 8.612 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -4.051 -4.783 6.783 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -0.500 -1.568 6.236 0.00 0.00 0.010 A ATOM 9 C UNL d 1 0.256 -4.056 5.142 0.00 0.00 0.114 A ATOM 10 C UNL d 1 0.618 -1.669 5.405 0.00 0.00 0.003 A ATOM 11 C UNL d 1 0.990 -2.904 4.849 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 0.538 -5.324 4.596 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 1.779 -5.927 4.761 0.00 0.00 0.365 C ATOM 14 O UNL d 1 2.825 -5.596 4.216 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 1.764 -6.989 5.624 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 0.645 -7.478 6.388 0.00 0.00 0.151 C ATOM 17 H UNL d 1 2.666 -7.435 5.731 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2