REMARK VINA RESULT: 41.0 0.848 1.042 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 21.246 -6.514 -4.140 0.00 0.00 0.017 A ATOM 2 C UNL d 1 18.928 -8.171 -4.830 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 20.241 -8.701 -4.967 0.00 0.00 0.025 A ATOM 4 C UNL d 1 17.764 -8.960 -5.175 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 19.933 -6.047 -3.949 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 21.350 -7.817 -4.702 0.00 0.00 0.089 A ATOM 7 C UNL d 1 18.836 -6.849 -4.336 0.00 0.00 0.020 A ATOM 8 C UNL d 1 20.375 -10.063 -5.375 0.00 0.00 0.051 A ATOM 9 C UNL d 1 17.969 -10.274 -5.627 0.00 0.00 0.107 A ATOM 10 C UNL d 1 19.247 -10.822 -5.708 0.00 0.00 0.113 A ATOM 11 C UNL d 1 19.543 -4.686 -3.414 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 22.460 -5.698 -3.781 0.00 0.00 0.017 A ATOM 13 C UNL d 1 23.541 -5.511 -4.661 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 24.640 -4.713 -4.274 0.00 0.00 0.020 A ATOM 15 C UNL d 1 23.640 -6.048 -6.069 0.00 0.00 0.049 C ATOM 16 C UNL d 1 24.809 -4.128 -3.001 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 23.763 -4.355 -2.062 0.00 0.00 0.025 A ATOM 18 C UNL d 1 25.972 -3.340 -2.653 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 22.589 -5.056 -2.520 0.00 0.00 0.089 A ATOM 20 C UNL d 1 23.942 -3.851 -0.735 0.00 0.00 0.051 A ATOM 21 C UNL d 1 25.059 -3.089 -0.406 0.00 0.00 0.113 A ATOM 22 C UNL d 1 26.046 -2.821 -1.351 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 21.503 -5.034 -1.664 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 20.802 -5.619 -1.995 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 23.014 -4.225 0.365 0.00 0.00 0.273 C ATOM 26 O UNL d 1 22.909 -5.357 0.821 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 25.265 -2.620 0.867 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 26.183 -2.282 0.873 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 27.075 -2.055 -0.861 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 27.849 -2.111 -1.439 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 27.108 -3.109 -3.661 0.00 0.00 0.014 C ATOM 32 C UNL d 1 26.649 -3.128 -5.124 0.00 0.00 0.015 C ATOM 33 C UNL d 1 27.959 -1.887 -3.301 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 22.595 -8.285 -5.083 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 22.638 -9.251 -4.984 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 21.679 -10.765 -5.331 0.00 0.00 0.273 C ATOM 37 O UNL d 1 21.905 -11.842 -5.870 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 16.344 -8.398 -5.016 0.00 0.00 0.014 C ATOM 39 C UNL d 1 15.960 -8.091 -3.564 0.00 0.00 0.015 C ATOM 40 C UNL d 1 16.072 -7.239 -5.980 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 19.342 -12.142 -6.066 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 19.098 -12.642 -5.262 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 16.976 -11.157 -5.982 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 17.174 -11.573 -6.831 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11