REMARK VINA RESULT: -3.2 1.595 2.918 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 -6.017 -2.308 3.688 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -8.283 -2.894 5.454 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -6.954 -3.066 5.930 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -9.423 -3.188 6.297 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -7.342 -2.081 3.273 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -5.876 -2.852 4.995 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -8.416 -2.419 4.128 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -6.775 -3.456 7.292 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -9.177 -3.625 7.609 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -7.880 -3.740 8.104 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -7.772 -1.556 1.921 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -4.829 -2.003 2.815 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -3.624 -1.481 3.321 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -2.537 -1.239 2.453 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -3.326 -1.189 4.772 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -2.568 -1.394 1.051 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -3.797 -1.855 0.498 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -1.428 -1.105 0.209 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -4.848 -2.226 1.412 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -3.892 -1.940 -0.927 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -2.792 -1.666 -1.734 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -1.576 -1.276 -1.177 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -5.918 -2.902 0.855 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -6.331 -2.363 0.160 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -5.192 -2.197 -1.600 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -5.506 -3.268 -2.105 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -2.867 -1.713 -3.102 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -2.825 -0.782 -3.397 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -0.597 -1.047 -2.112 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 0.188 -0.661 -1.700 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -0.108 -0.591 0.804 0.00 0.00 0.014 C ATOM 32 C UNL d 1 1.138 -1.266 0.217 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -0.033 0.939 0.807 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -4.625 -3.266 5.417 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -4.166 -2.543 5.877 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -5.442 -3.445 7.937 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -4.746 -2.446 8.071 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -10.860 -2.991 5.793 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -11.475 -4.252 5.174 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -11.755 -2.328 6.845 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -7.740 -4.079 9.424 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -7.919 -3.256 9.920 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -10.142 -3.933 8.538 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -9.824 -4.606 9.154 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11