REMARK VINA RESULT: -4.6 0.021 8.901 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 -4.662 -2.245 3.419 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -2.616 -1.526 1.446 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -3.867 -2.045 1.010 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -1.581 -1.173 0.497 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -3.443 -1.662 3.812 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -4.804 -2.468 2.021 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -2.456 -1.371 2.843 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -4.103 -2.130 -0.396 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -1.857 -1.338 -0.870 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -3.099 -1.790 -1.310 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -3.019 -1.362 5.233 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -5.742 -2.611 4.403 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -5.474 -3.247 5.628 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -6.530 -3.542 6.519 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -4.108 -3.617 6.153 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -7.899 -3.331 6.253 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -8.211 -2.751 4.989 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -8.940 -3.678 7.196 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -7.113 -2.333 4.153 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -9.592 -2.604 4.650 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -10.590 -2.935 5.562 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -10.271 -3.442 6.819 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -7.452 -1.552 3.063 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -8.060 -2.035 2.479 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -10.014 -2.218 3.277 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -10.069 -1.063 2.874 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -11.922 -2.829 5.248 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -12.399 -3.202 6.015 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -11.373 -3.713 7.593 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -11.164 -3.618 8.532 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -8.605 -4.318 8.551 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -9.415 -3.747 9.722 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -8.618 -5.849 8.486 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -5.893 -3.191 1.565 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -6.122 -3.893 2.197 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -5.443 -2.445 -0.943 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -5.734 -3.495 -1.502 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -0.234 -0.600 0.961 0.00 0.00 0.014 C ATOM 39 C UNL d 1 0.981 -1.332 0.381 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -0.168 0.922 0.797 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -3.311 -1.825 -2.664 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -3.800 -2.656 -2.824 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -0.993 -1.041 -1.897 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -1.384 -1.264 -2.752 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11