REMARK VINA RESULT: -7.1 0.143 9.057 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 3.191 3.504 11.302 0.00 0.00 0.017 A ATOM 2 C UNL d 1 2.517 6.348 11.536 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 1.698 5.373 12.170 0.00 0.00 0.025 A ATOM 4 C UNL d 1 2.203 7.759 11.622 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 4.020 4.498 10.749 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 2.019 3.984 11.949 0.00 0.00 0.089 A ATOM 7 C UNL d 1 3.644 5.857 10.835 0.00 0.00 0.020 A ATOM 8 C UNL d 1 0.603 5.832 12.964 0.00 0.00 0.051 A ATOM 9 C UNL d 1 1.077 8.138 12.371 0.00 0.00 0.107 A ATOM 10 C UNL d 1 0.303 7.197 13.044 0.00 0.00 0.113 A ATOM 11 C UNL d 1 5.295 4.259 9.971 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 3.515 2.036 11.216 0.00 0.00 0.017 A ATOM 13 C UNL d 1 4.528 1.432 11.983 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 4.766 0.044 11.874 0.00 0.00 0.020 A ATOM 15 C UNL d 1 5.397 2.124 13.005 0.00 0.00 0.049 C ATOM 16 C UNL d 1 4.118 -0.823 10.969 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 3.133 -0.229 10.128 0.00 0.00 0.025 A ATOM 18 C UNL d 1 4.423 -2.234 10.885 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 2.809 1.159 10.349 0.00 0.00 0.089 A ATOM 20 C UNL d 1 2.519 -1.059 9.138 0.00 0.00 0.051 A ATOM 21 C UNL d 1 2.811 -2.417 9.064 0.00 0.00 0.113 A ATOM 22 C UNL d 1 3.730 -2.999 9.934 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 1.684 1.625 9.695 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 0.899 1.521 10.259 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 1.649 -0.483 8.079 0.00 0.00 0.273 C ATOM 26 O UNL d 1 0.427 -0.558 8.075 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 2.256 -3.226 8.106 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 3.008 -3.699 7.698 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 3.899 -4.346 9.726 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 3.064 -4.818 9.844 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 5.496 -2.871 11.780 0.00 0.00 0.014 C ATOM 32 C UNL d 1 5.482 -2.356 13.225 0.00 0.00 0.015 C ATOM 33 C UNL d 1 5.504 -4.399 11.674 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 1.065 3.074 12.370 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 0.714 3.328 13.240 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -0.166 4.913 13.835 0.00 0.00 0.273 C ATOM 37 O UNL d 1 0.218 4.509 14.926 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 3.092 8.816 10.952 0.00 0.00 0.014 C ATOM 39 C UNL d 1 4.406 9.080 11.696 0.00 0.00 0.015 C ATOM 40 C UNL d 1 3.280 8.546 9.455 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -0.718 7.668 13.829 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -0.332 7.759 14.722 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 0.649 9.431 12.563 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -0.018 9.673 11.907 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11