REMARK VINA RESULT: -3.9 1.255 9.016 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_21 REMARK 2 A between atoms: O_2 and C_22 REMARK 3 A between atoms: O_3 and C_27 REMARK 4 A between atoms: O_4 and C_28 REMARK 5 A between atoms: O_5 and C_29 REMARK 6 A between atoms: O_6 and C_30 REMARK 7 A between atoms: C_9 and C_10 REMARK 8 A between atoms: C_15 and C_19 REMARK 9 A between atoms: C_16 and C_20 REMARK 10 A between atoms: C_25 and C_37 REMARK 11 A between atoms: C_26 and C_38 ROOT ATOM 1 C UNL d 1 -0.661 -16.712 5.539 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -0.253 -13.813 5.689 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -1.564 -14.333 5.504 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -0.017 -12.386 5.755 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 0.611 -16.168 5.794 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -1.700 -15.761 5.345 0.00 0.00 0.089 A ATOM 7 C UNL d 1 0.786 -14.765 5.812 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -2.652 -13.409 5.467 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -1.126 -11.530 5.652 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -2.420 -12.030 5.529 0.00 0.00 0.113 A ATOM 11 C UNL d 1 1.890 -16.951 5.990 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -0.912 -18.196 5.472 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -0.474 -18.996 4.401 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -0.719 -20.387 4.410 0.00 0.00 0.020 A ATOM 15 C UNL d 1 0.320 -18.521 3.208 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -1.469 -21.073 5.388 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -1.986 -20.280 6.452 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -1.709 -22.498 5.330 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -1.610 -18.888 6.498 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -2.824 -20.927 7.415 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -3.048 -22.299 7.358 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -2.485 -23.075 6.347 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -1.918 -18.221 7.669 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -2.651 -17.600 7.520 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -3.583 -20.146 8.427 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -3.432 -20.258 9.637 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -3.871 -22.936 8.252 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -3.427 -22.851 9.119 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -2.805 -24.407 6.441 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -3.682 -24.575 6.070 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -1.165 -23.351 4.173 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -0.110 -24.378 4.605 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -2.287 -23.947 3.318 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -2.942 -16.201 4.921 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -3.291 -16.870 5.533 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -4.062 -13.864 5.500 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -4.866 -13.564 6.374 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 1.394 -11.819 5.969 0.00 0.00 0.014 C ATOM 39 C UNL d 1 1.924 -11.016 4.776 0.00 0.00 0.015 C ATOM 40 C UNL d 1 1.523 -11.084 7.307 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -3.447 -11.123 5.535 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -4.263 -11.660 5.500 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -1.078 -10.157 5.707 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -0.236 -9.857 6.074 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11