REMARK VINA RESULT: -3.3 1.235 1.995 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 5.677 -3.857 10.181 0.00 0.00 0.055 A ATOM 2 C UNL d 1 4.451 -3.959 10.857 0.00 0.00 0.055 A ATOM 3 C UNL d 1 5.700 -3.716 8.786 0.00 0.00 0.018 A ATOM 4 C UNL d 1 3.263 -3.987 10.112 0.00 0.00 0.018 A ATOM 5 C UNL d 1 4.509 -3.726 8.058 0.00 0.00 0.001 A ATOM 6 C UNL d 1 3.292 -3.876 8.718 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 4.334 -4.072 12.330 0.00 0.00 0.294 C ATOM 8 O UNL d 1 4.256 -3.097 13.063 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 4.394 -5.369 12.710 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 3.720 -5.699 13.935 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 4.202 -7.054 14.374 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 3.692 -8.210 13.769 0.00 0.00 0.009 A ATOM 13 C UNL d 1 3.953 -9.463 14.319 0.00 0.00 0.001 A ATOM 14 C UNL d 1 4.735 -9.569 15.468 0.00 0.00 0.000 A ATOM 15 C UNL d 1 5.299 -8.430 16.039 0.00 0.00 0.001 A ATOM 16 C UNL d 1 5.040 -7.175 15.489 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 6.989 -3.998 10.857 0.00 0.00 0.294 C ATOM 18 O UNL d 1 7.511 -3.120 11.516 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 7.525 -5.177 10.473 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 8.602 -5.146 9.526 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 8.800 -6.565 9.004 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 7.831 -6.867 7.859 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 7.365 -5.613 7.144 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9