REMARK VINA RESULT: -4.8 1.799 9.148 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 -4.993 -3.804 1.545 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -5.863 -2.750 -1.049 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -6.300 -2.123 0.151 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -6.286 -2.260 -2.345 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -4.522 -4.355 0.339 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -5.919 -2.734 1.401 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -4.997 -3.857 -0.896 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -7.102 -0.946 0.039 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -7.123 -1.133 -2.381 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -7.509 -0.477 -1.215 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -3.571 -5.524 0.208 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -4.555 -4.309 2.894 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -5.447 -4.867 3.827 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -4.969 -5.345 5.067 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -6.928 -5.079 3.619 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -3.638 -5.235 5.520 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -2.721 -4.610 4.628 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -3.212 -5.721 6.815 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -3.198 -4.253 3.314 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -1.383 -4.402 5.089 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -0.975 -4.875 6.333 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -1.866 -5.541 7.172 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -2.227 -3.889 2.400 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -1.439 -3.556 2.861 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -0.421 -3.568 4.321 0.00 0.00 0.273 C ATOM 26 O UNL d 1 0.161 -2.591 4.778 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 0.294 -4.662 6.808 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 0.209 -4.665 7.782 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -1.301 -5.942 8.357 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -1.984 -6.169 9.003 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -4.204 -6.379 7.784 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -5.200 -5.396 8.412 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -4.867 -7.620 7.178 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -6.562 -2.249 2.527 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -6.902 -2.983 3.066 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -7.417 -0.104 1.217 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -8.357 -0.301 1.977 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -5.806 -2.924 -3.643 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -5.850 -4.455 -3.607 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -6.478 -2.321 -4.881 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -8.246 0.671 -1.354 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -8.176 1.125 -0.492 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -7.603 -0.537 -3.524 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -8.432 -0.074 -3.348 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11