REMARK VINA RESULT: 4.9 1.628 8.852 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 3.781 5.035 4.668 0.00 0.00 0.017 A ATOM 2 C UNL d 1 1.293 6.058 5.834 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 1.240 5.135 4.752 0.00 0.00 0.025 A ATOM 4 C UNL d 1 0.082 6.590 6.422 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 3.797 5.891 5.785 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 2.490 4.733 4.154 0.00 0.00 0.089 A ATOM 7 C UNL d 1 2.584 6.407 6.295 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -0.044 4.686 4.316 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -1.149 6.151 5.906 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -1.213 5.205 4.887 0.00 0.00 0.113 A ATOM 11 C UNL d 1 5.031 6.404 6.494 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 5.038 4.477 4.055 0.00 0.00 0.017 A ATOM 13 C UNL d 1 5.485 4.837 2.770 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 6.686 4.296 2.261 0.00 0.00 0.020 A ATOM 15 C UNL d 1 4.822 5.832 1.849 0.00 0.00 0.049 C ATOM 16 C UNL d 1 7.475 3.320 2.906 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 7.013 2.882 4.179 0.00 0.00 0.025 A ATOM 18 C UNL d 1 8.685 2.784 2.321 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 5.861 3.544 4.741 0.00 0.00 0.089 A ATOM 20 C UNL d 1 7.739 1.831 4.822 0.00 0.00 0.051 A ATOM 21 C UNL d 1 8.905 1.321 4.260 0.00 0.00 0.113 A ATOM 22 C UNL d 1 9.381 1.802 3.042 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 5.601 3.271 6.071 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 5.035 2.485 6.149 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 7.212 1.160 6.040 0.00 0.00 0.273 C ATOM 26 O UNL d 1 6.113 0.621 6.108 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 9.602 0.293 4.843 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 10.506 0.638 4.982 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 10.542 1.192 2.633 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 11.105 1.815 2.153 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 9.174 3.245 0.940 0.00 0.00 0.014 C ATOM 32 C UNL d 1 8.652 2.386 -0.219 0.00 0.00 0.015 C ATOM 33 C UNL d 1 8.972 4.748 0.728 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 2.389 4.041 2.960 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 1.932 3.195 3.096 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -0.194 3.569 3.355 0.00 0.00 0.273 C ATOM 37 O UNL d 1 0.276 2.450 3.515 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 0.133 7.575 7.599 0.00 0.00 0.014 C ATOM 39 C UNL d 1 0.528 6.925 8.930 0.00 0.00 0.015 C ATOM 40 C UNL d 1 0.945 8.830 7.265 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -2.457 4.764 4.516 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -2.291 4.027 3.896 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -2.386 6.547 6.358 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -2.455 7.511 6.371 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11