REMARK VINA RESULT: -3.8 1.215 1.485 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 -0.902 -18.241 5.832 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -1.429 -21.121 5.992 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -1.724 -20.285 7.105 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -1.667 -22.548 6.044 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -0.690 -19.084 4.725 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -1.362 -18.892 7.010 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -0.906 -20.475 4.847 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -2.339 -20.884 8.247 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -2.218 -23.081 7.221 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -2.566 -22.264 8.294 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -0.162 -18.658 3.373 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -0.658 -16.756 5.781 0.00 0.00 0.017 A ATOM 13 C UNL d 1 0.630 -16.192 5.822 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 0.793 -14.792 5.746 0.00 0.00 0.020 A ATOM 15 C UNL d 1 1.930 -16.958 5.884 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -0.260 -13.852 5.718 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -1.579 -14.388 5.745 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -0.030 -12.425 5.665 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -1.724 -15.821 5.685 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -2.669 -13.463 5.807 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -2.444 -12.091 5.751 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -1.152 -11.581 5.661 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -3.006 -16.286 5.458 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -3.274 -16.896 6.166 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -4.060 -13.924 6.059 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -4.966 -13.857 5.238 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -3.471 -11.185 5.837 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -3.680 -11.120 6.790 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -1.110 -10.209 5.614 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -0.698 -9.851 6.412 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 1.393 -11.847 5.653 0.00 0.00 0.014 C ATOM 32 C UNL d 1 1.765 -11.150 4.338 0.00 0.00 0.015 C ATOM 33 C UNL d 1 1.684 -11.003 6.898 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -1.433 -18.172 8.190 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -2.359 -18.046 8.454 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -2.882 -20.066 9.357 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -4.058 -20.057 9.699 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -1.363 -23.452 4.841 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -0.147 -24.364 5.045 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -2.610 -24.196 4.350 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -3.188 -22.859 9.361 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -4.020 -22.360 9.482 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -2.516 -24.407 7.430 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -2.759 -24.564 8.351 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11