REMARK VINA RESULT: -7.5 1.008 6.397 REMARK 9 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_7 REMARK 2 A between atoms: O_1 and C_11 REMARK 3 A between atoms: O_2 and C_13 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_6 REMARK 6 A between atoms: C_5 and C_7 REMARK 7 A between atoms: C_8 and C_11 REMARK 8 A between atoms: C_9 and C_16 REMARK 9 A between atoms: C_13 and C_14 ROOT ATOM 1 C UNL d 1 3.920 3.470 3.676 0.00 0.00 0.055 A ATOM 2 C UNL d 1 4.834 2.907 4.580 0.00 0.00 0.055 A ATOM 3 C UNL d 1 2.856 2.700 3.183 0.00 0.00 0.018 A ATOM 4 C UNL d 1 4.707 1.553 4.924 0.00 0.00 0.018 A ATOM 5 C UNL d 1 2.730 1.358 3.548 0.00 0.00 0.001 A ATOM 6 C UNL d 1 3.662 0.781 4.407 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 5.962 3.659 5.180 0.00 0.00 0.294 C ATOM 8 O UNL d 1 5.960 4.876 5.290 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 6.970 2.817 5.503 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 8.294 3.260 5.163 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 8.425 3.209 3.667 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 8.292 4.380 2.910 0.00 0.00 0.009 A ATOM 13 C UNL d 1 8.181 4.311 1.523 0.00 0.00 0.001 A ATOM 14 C UNL d 1 8.214 3.074 0.883 0.00 0.00 0.000 A ATOM 15 C UNL d 1 8.410 1.909 1.622 0.00 0.00 0.001 A ATOM 16 C UNL d 1 8.524 1.976 3.010 0.00 0.00 0.009 A ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 2 7 BRANCH 1 17 ATOM 17 C UNL d 1 4.070 4.832 3.112 0.00 0.00 0.294 C ATOM 18 O UNL d 1 4.901 5.134 2.277 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 3.250 5.656 3.800 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 1.967 5.950 3.231 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 0.950 5.971 4.368 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 1.618 6.353 5.692 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 0.643 6.963 6.682 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9