REMARK VINA RESULT: -4.7 2.005 7.613 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 43.860 65.388 55.529 0.00 0.00 0.055 A ATOM 2 C UNL d 1 43.312 65.163 56.801 0.00 0.00 0.055 A ATOM 3 C UNL d 1 43.320 66.380 54.697 0.00 0.00 0.018 A ATOM 4 C UNL d 1 42.182 65.893 57.195 0.00 0.00 0.018 A ATOM 5 C UNL d 1 42.206 67.113 55.110 0.00 0.00 0.001 A ATOM 6 C UNL d 1 41.627 66.861 56.351 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 43.845 64.163 57.758 0.00 0.00 0.294 C ATOM 8 O UNL d 1 44.833 64.369 58.446 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 43.128 63.018 57.690 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 43.083 62.232 58.891 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 41.825 62.594 59.630 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 41.828 62.667 61.029 0.00 0.00 0.009 A ATOM 13 C UNL d 1 40.629 62.773 61.730 0.00 0.00 0.001 A ATOM 14 C UNL d 1 39.420 62.816 61.038 0.00 0.00 0.000 A ATOM 15 C UNL d 1 39.411 62.808 59.644 0.00 0.00 0.001 A ATOM 16 C UNL d 1 40.610 62.705 58.941 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 44.937 64.550 54.949 0.00 0.00 0.294 C ATOM 18 O UNL d 1 44.740 63.510 54.351 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 46.120 65.067 55.345 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 47.133 64.156 55.792 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 48.394 64.433 54.980 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 48.851 63.178 54.232 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 47.901 62.009 54.421 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9