REMARK VINA RESULT: -5.6 1.684 2.945 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 -17.614 20.534 -28.182 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -19.700 20.402 -26.126 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -18.358 20.066 -25.794 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -20.755 20.335 -25.136 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -18.936 20.929 -28.458 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -17.387 20.059 -26.861 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -19.930 20.808 -27.461 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -18.067 19.739 -24.435 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -20.409 19.948 -23.831 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -19.089 19.674 -23.481 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -19.454 21.427 -29.790 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -16.513 20.605 -29.208 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -16.681 20.177 -30.537 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -15.616 20.293 -31.458 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -17.955 19.634 -31.138 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -14.314 20.734 -31.142 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -14.091 21.110 -29.786 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -13.255 20.807 -32.125 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -15.224 21.115 -28.895 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -12.761 21.479 -29.411 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -11.746 21.552 -30.360 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -11.992 21.243 -31.696 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -15.022 21.722 -27.669 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -15.405 21.182 -26.958 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -12.386 21.671 -27.985 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -12.156 20.756 -27.204 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -10.457 21.875 -30.019 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -9.999 21.021 -29.897 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -10.883 21.369 -32.497 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -10.687 20.534 -32.944 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -13.491 20.386 -33.583 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -13.861 18.907 -33.747 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -14.442 21.340 -34.312 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -16.163 19.491 -26.554 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -15.730 19.163 -27.359 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -16.674 19.593 -23.950 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -16.070 18.530 -23.889 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -22.202 20.710 -25.486 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -23.168 19.520 -25.475 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -22.699 21.909 -24.672 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -18.833 19.401 -22.162 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -18.724 18.430 -22.119 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -21.283 19.846 -22.775 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -21.981 20.511 -22.840 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11