REMARK VINA RESULT: -1.1 3.922 7.358 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 1 111.498 84.710 55.071 0.00 0.00 0.017 A ATOM 2 C UNL d 1 110.896 82.475 53.271 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 110.620 82.357 54.662 0.00 0.00 0.025 A ATOM 4 C UNL d 1 110.622 81.384 52.359 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 111.691 84.820 53.682 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 111.018 83.447 55.518 0.00 0.00 0.089 A ATOM 7 C UNL d 1 111.438 83.710 52.845 0.00 0.00 0.020 A ATOM 8 C UNL d 1 109.988 81.161 55.120 0.00 0.00 0.051 A ATOM 9 C UNL d 1 110.054 80.213 52.886 0.00 0.00 0.107 A ATOM 10 C UNL d 1 109.725 80.108 54.235 0.00 0.00 0.113 A ATOM 11 C UNL d 1 112.233 86.030 52.954 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 111.779 85.842 56.024 0.00 0.00 0.017 A ATOM 13 C UNL d 1 110.776 86.462 56.790 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 111.109 87.504 57.683 0.00 0.00 0.020 A ATOM 15 C UNL d 1 109.315 86.082 56.809 0.00 0.00 0.049 C ATOM 16 C UNL d 1 112.394 88.069 57.829 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 113.421 87.510 57.015 0.00 0.00 0.025 A ATOM 18 C UNL d 1 112.670 89.155 58.744 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 113.089 86.359 56.211 0.00 0.00 0.089 A ATOM 20 C UNL d 1 114.715 88.116 57.072 0.00 0.00 0.051 A ATOM 21 C UNL d 1 114.978 89.157 57.957 0.00 0.00 0.113 A ATOM 22 C UNL d 1 113.981 89.654 58.793 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 114.161 85.697 55.640 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 113.855 84.898 55.180 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 115.783 87.747 56.106 0.00 0.00 0.273 C ATOM 26 O UNL d 1 115.851 88.173 54.959 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 116.203 89.772 58.008 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 116.127 90.442 58.716 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 114.409 90.676 59.604 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 115.023 91.254 59.130 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 111.559 89.769 59.609 0.00 0.00 0.014 C ATOM 32 C UNL d 1 111.543 91.302 59.597 0.00 0.00 0.015 C ATOM 33 C UNL d 1 110.191 89.139 59.325 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 110.963 83.194 56.878 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 110.460 83.890 57.332 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 109.463 81.036 56.500 0.00 0.00 0.273 C ATOM 37 O UNL d 1 109.224 79.972 57.057 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 110.905 81.512 50.856 0.00 0.00 0.014 C ATOM 39 C UNL d 1 110.051 82.574 50.155 0.00 0.00 0.015 C ATOM 40 C UNL d 1 112.403 81.638 50.560 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 109.085 78.965 54.639 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 108.363 79.270 55.223 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 109.722 79.094 52.158 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 108.802 79.134 51.867 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11