REMARK VINA RESULT: -2.8 0.828 9.109 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 30.789 76.762 103.594 0.00 0.00 0.017 A ATOM 2 C UNL d 1 28.974 78.374 101.949 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 30.253 78.011 101.442 0.00 0.00 0.025 A ATOM 4 C UNL d 1 28.061 79.179 101.166 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 29.490 77.078 104.036 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 31.143 77.296 102.324 0.00 0.00 0.089 A ATOM 7 C UNL d 1 28.656 77.897 103.242 0.00 0.00 0.020 A ATOM 8 C UNL d 1 30.578 78.394 100.106 0.00 0.00 0.051 A ATOM 9 C UNL d 1 28.467 79.573 99.880 0.00 0.00 0.107 A ATOM 10 C UNL d 1 29.693 79.174 99.352 0.00 0.00 0.113 A ATOM 11 C UNL d 1 28.881 76.678 105.361 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 31.741 75.923 104.405 0.00 0.00 0.017 A ATOM 13 C UNL d 1 31.488 74.577 104.726 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 32.433 73.837 105.470 0.00 0.00 0.020 A ATOM 15 C UNL d 1 30.284 73.775 104.295 0.00 0.00 0.049 C ATOM 16 C UNL d 1 33.622 74.360 106.022 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 33.875 75.739 105.773 0.00 0.00 0.025 A ATOM 18 C UNL d 1 34.541 73.557 106.798 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 32.968 76.442 104.899 0.00 0.00 0.089 A ATOM 20 C UNL d 1 35.025 76.324 106.390 0.00 0.00 0.051 A ATOM 21 C UNL d 1 35.909 75.548 107.132 0.00 0.00 0.113 A ATOM 22 C UNL d 1 35.684 74.185 107.316 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 33.384 77.693 104.483 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 34.320 77.668 104.224 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 35.248 77.794 106.371 0.00 0.00 0.273 C ATOM 26 O UNL d 1 36.205 78.337 105.832 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 37.002 76.092 107.757 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 37.775 75.628 107.380 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 36.653 73.570 108.070 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 36.445 73.633 109.012 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 34.260 72.073 107.080 0.00 0.00 0.014 C ATOM 32 C UNL d 1 35.131 71.113 106.262 0.00 0.00 0.015 C ATOM 33 C UNL d 1 34.248 71.763 108.580 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 32.453 77.182 101.891 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 32.650 76.262 101.647 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 31.784 77.877 99.418 0.00 0.00 0.273 C ATOM 37 O UNL d 1 32.695 78.578 98.996 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 26.674 79.562 101.702 0.00 0.00 0.014 C ATOM 39 C UNL d 1 26.159 80.907 101.175 0.00 0.00 0.015 C ATOM 40 C UNL d 1 25.664 78.420 101.555 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 29.961 79.524 98.054 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 29.161 79.273 97.552 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 27.719 80.326 99.006 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 27.560 79.843 98.185 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11