REMARK VINA RESULT: -2.6 1.613 9.216 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 31.109 76.956 102.965 0.00 0.00 0.017 A ATOM 2 C UNL d 1 29.388 78.573 101.227 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 28.936 78.205 102.525 0.00 0.00 0.025 A ATOM 4 C UNL d 1 28.557 79.360 100.341 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 31.554 77.398 101.706 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 29.780 77.333 103.305 0.00 0.00 0.089 A ATOM 7 C UNL d 1 30.685 78.135 100.870 0.00 0.00 0.020 A ATOM 8 C UNL d 1 27.670 78.704 102.960 0.00 0.00 0.051 A ATOM 9 C UNL d 1 27.297 79.769 100.809 0.00 0.00 0.107 A ATOM 10 C UNL d 1 26.869 79.464 102.099 0.00 0.00 0.113 A ATOM 11 C UNL d 1 32.901 77.099 101.085 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 31.971 76.139 103.891 0.00 0.00 0.017 A ATOM 13 C UNL d 1 31.628 74.839 104.305 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 32.491 74.115 105.155 0.00 0.00 0.020 A ATOM 15 C UNL d 1 30.404 74.066 103.873 0.00 0.00 0.049 C ATOM 16 C UNL d 1 33.678 74.620 105.728 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 34.019 75.960 105.386 0.00 0.00 0.025 A ATOM 18 C UNL d 1 34.510 73.838 106.616 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 33.198 76.634 104.410 0.00 0.00 0.089 A ATOM 20 C UNL d 1 35.167 76.534 106.017 0.00 0.00 0.051 A ATOM 21 C UNL d 1 35.968 75.777 106.866 0.00 0.00 0.113 A ATOM 22 C UNL d 1 35.659 74.448 107.144 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 33.703 77.823 103.919 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 33.082 78.550 104.095 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 35.472 77.984 105.893 0.00 0.00 0.273 C ATOM 26 O UNL d 1 36.100 78.478 104.964 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 37.056 76.314 107.505 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 37.703 76.508 106.798 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 36.553 73.848 107.997 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 37.349 74.388 108.093 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 34.134 72.399 106.999 0.00 0.00 0.014 C ATOM 32 C UNL d 1 34.994 71.331 106.312 0.00 0.00 0.015 C ATOM 33 C UNL d 1 34.024 72.215 108.516 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 29.202 76.800 104.444 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 28.447 77.342 104.726 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 27.217 78.561 104.363 0.00 0.00 0.273 C ATOM 37 O UNL d 1 26.281 77.856 104.720 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 29.046 79.772 98.945 0.00 0.00 0.014 C ATOM 39 C UNL d 1 30.149 80.836 98.967 0.00 0.00 0.015 C ATOM 40 C UNL d 1 29.382 78.560 98.071 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 25.668 79.988 102.502 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 25.014 79.653 101.858 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 26.394 80.527 100.103 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 25.610 80.009 99.879 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11