REMARK VINA RESULT: -6.3 1.877 3.260 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 -17.831 20.613 -27.909 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -20.235 20.474 -26.236 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -20.355 20.765 -27.623 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -21.402 20.411 -25.381 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -17.754 20.257 -26.550 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -19.138 20.913 -28.384 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -18.924 20.246 -25.757 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -21.669 20.912 -28.165 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -22.660 20.625 -25.967 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -22.794 20.852 -27.335 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -16.488 19.937 -25.786 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -16.620 20.678 -28.802 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -15.535 21.537 -28.554 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -14.417 21.532 -29.417 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -15.395 22.471 -27.376 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -14.312 20.780 -30.606 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -15.426 19.951 -30.924 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -13.150 20.837 -31.466 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -16.496 19.866 -29.962 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -15.391 19.242 -32.166 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -14.269 19.295 -32.987 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -13.161 20.061 -32.635 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -17.426 18.867 -30.185 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -18.157 18.940 -29.548 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -16.591 18.531 -32.683 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -16.774 17.324 -32.579 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -14.225 18.647 -34.196 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -14.818 17.876 -34.098 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -12.142 19.999 -33.555 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -11.311 20.302 -33.166 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -11.956 21.744 -31.132 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -10.730 20.985 -30.608 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -11.634 22.717 -32.271 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -19.286 21.436 -29.656 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -20.174 21.245 -30.000 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -21.904 20.995 -29.626 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -22.827 21.610 -30.145 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -21.279 20.084 -23.886 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -22.150 20.968 -22.987 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -21.437 18.585 -23.609 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -24.067 20.951 -27.833 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -24.654 20.792 -27.068 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -23.863 20.588 -25.303 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -24.595 20.775 -25.905 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11