REMARK VINA RESULT: -2.8 0.567 9.078 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 30.198 76.847 103.666 0.00 0.00 0.017 A ATOM 2 C UNL d 1 28.064 78.239 102.215 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 29.187 77.730 101.504 0.00 0.00 0.025 A ATOM 4 C UNL d 1 27.001 78.942 101.528 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 29.041 77.298 104.327 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 30.252 77.135 102.274 0.00 0.00 0.089 A ATOM 7 C UNL d 1 28.052 78.009 103.610 0.00 0.00 0.020 A ATOM 8 C UNL d 1 29.195 77.861 100.082 0.00 0.00 0.051 A ATOM 9 C UNL d 1 27.100 79.087 100.135 0.00 0.00 0.107 A ATOM 10 C UNL d 1 28.165 78.542 99.422 0.00 0.00 0.113 A ATOM 11 C UNL d 1 28.754 77.164 105.806 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 31.306 76.114 104.376 0.00 0.00 0.017 A ATOM 13 C UNL d 1 31.155 74.810 104.882 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 32.241 74.167 105.517 0.00 0.00 0.020 A ATOM 15 C UNL d 1 29.918 73.953 104.768 0.00 0.00 0.049 C ATOM 16 C UNL d 1 33.493 74.761 105.783 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 33.656 76.106 105.344 0.00 0.00 0.025 A ATOM 18 C UNL d 1 34.561 74.059 106.461 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 32.585 76.697 104.578 0.00 0.00 0.089 A ATOM 20 C UNL d 1 34.880 76.768 105.674 0.00 0.00 0.051 A ATOM 21 C UNL d 1 35.906 76.089 106.322 0.00 0.00 0.113 A ATOM 22 C UNL d 1 35.759 74.753 106.691 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 32.881 77.898 103.960 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 32.457 77.940 103.086 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 35.052 78.229 105.454 0.00 0.00 0.273 C ATOM 26 O UNL d 1 35.656 78.715 104.506 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 37.077 76.711 106.674 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 37.442 77.068 105.841 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 36.866 74.237 107.318 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 36.787 73.278 107.418 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 34.380 72.614 106.949 0.00 0.00 0.014 C ATOM 32 C UNL d 1 35.412 71.635 106.376 0.00 0.00 0.015 C ATOM 33 C UNL d 1 34.237 72.533 108.472 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 31.424 76.882 101.582 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 32.093 76.503 102.176 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 30.203 77.173 99.242 0.00 0.00 0.273 C ATOM 37 O UNL d 1 31.175 77.721 98.738 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 25.780 79.480 102.288 0.00 0.00 0.014 C ATOM 39 C UNL d 1 25.664 78.952 103.722 0.00 0.00 0.015 C ATOM 40 C UNL d 1 25.664 81.004 102.186 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 28.127 78.649 98.056 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 28.558 79.503 97.855 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 26.175 79.714 99.333 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 26.611 80.213 98.630 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11