REMARK VINA RESULT: -6.3 1.960 9.246 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 -16.640 20.693 -28.922 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -14.288 20.774 -30.671 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -15.390 19.938 -31.005 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -13.107 20.826 -31.507 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -15.565 21.562 -28.659 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -16.483 19.864 -30.067 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -14.424 21.544 -29.492 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -15.331 19.213 -32.235 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -13.091 20.042 -32.673 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -14.187 19.266 -33.041 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -15.456 22.511 -27.486 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -17.871 20.637 -28.056 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -17.828 20.304 -26.690 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -19.015 20.293 -25.926 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -16.583 19.996 -25.892 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -20.312 20.509 -26.438 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -20.398 20.781 -27.833 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -21.497 20.460 -25.609 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -19.165 20.923 -28.568 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -21.703 20.918 -28.403 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -22.840 20.875 -27.602 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -22.739 20.671 -26.227 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -19.283 21.433 -29.847 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -19.446 20.716 -30.482 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -21.900 20.983 -29.875 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -22.423 21.925 -30.459 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -24.102 20.975 -28.129 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -23.989 21.430 -28.987 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -23.954 20.658 -25.588 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -24.203 19.756 -25.344 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -21.405 20.150 -24.107 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -22.223 21.104 -23.228 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -21.661 18.669 -23.807 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -17.409 18.863 -30.302 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -18.236 19.240 -30.645 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -16.511 18.497 -32.774 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -16.694 17.290 -32.673 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -11.922 21.736 -31.158 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -10.689 20.978 -30.653 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -11.610 22.732 -32.280 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -14.119 18.612 -34.243 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -13.256 18.154 -34.236 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -12.058 19.985 -33.578 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -11.627 20.846 -33.662 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11