REMARK VINA RESULT: -6.3 1.798 9.387 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 14.557 3.379 -9.544 0.00 0.00 0.017 A ATOM 2 C UNL d 1 15.422 1.748 -7.266 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 14.563 1.186 -8.252 0.00 0.00 0.025 A ATOM 4 C UNL d 1 15.856 0.972 -6.123 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 15.463 3.879 -8.590 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 14.093 2.056 -9.303 0.00 0.00 0.089 A ATOM 7 C UNL d 1 15.823 3.087 -7.477 0.00 0.00 0.020 A ATOM 8 C UNL d 1 14.208 -0.191 -8.125 0.00 0.00 0.051 A ATOM 9 C UNL d 1 15.421 -0.361 -6.028 0.00 0.00 0.107 A ATOM 10 C UNL d 1 14.629 -0.938 -7.018 0.00 0.00 0.113 A ATOM 11 C UNL d 1 16.070 5.265 -8.584 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 14.105 4.181 -10.735 0.00 0.00 0.017 A ATOM 13 C UNL d 1 14.680 4.042 -12.012 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 14.193 4.808 -13.094 0.00 0.00 0.020 A ATOM 15 C UNL d 1 15.776 3.075 -12.388 0.00 0.00 0.049 C ATOM 16 C UNL d 1 13.201 5.807 -13.001 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 12.647 6.022 -11.707 0.00 0.00 0.025 A ATOM 18 C UNL d 1 12.762 6.578 -14.143 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 13.058 5.138 -10.644 0.00 0.00 0.089 A ATOM 20 C UNL d 1 11.703 7.086 -11.559 0.00 0.00 0.051 A ATOM 21 C UNL d 1 11.278 7.822 -12.661 0.00 0.00 0.113 A ATOM 22 C UNL d 1 11.782 7.561 -13.933 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 12.317 5.213 -9.480 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 12.407 6.095 -9.080 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 11.240 7.526 -10.216 0.00 0.00 0.273 C ATOM 26 O UNL d 1 11.215 8.694 -9.846 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 10.396 8.866 -12.538 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 9.689 8.685 -13.188 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 11.256 8.377 -14.905 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 10.291 8.396 -14.850 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 13.371 6.358 -15.536 0.00 0.00 0.014 C ATOM 32 C UNL d 1 12.342 5.981 -16.609 0.00 0.00 0.015 C ATOM 33 C UNL d 1 14.296 7.507 -15.950 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 13.075 1.549 -10.090 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 13.172 1.854 -11.008 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 13.508 -0.918 -9.210 0.00 0.00 0.273 C ATOM 37 O UNL d 1 12.379 -1.385 -9.114 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 16.793 1.568 -5.063 0.00 0.00 0.014 C ATOM 39 C UNL d 1 16.103 2.552 -4.112 0.00 0.00 0.015 C ATOM 40 C UNL d 1 17.608 0.489 -4.342 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 14.336 -2.271 -6.890 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 13.380 -2.303 -6.688 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 15.750 -1.234 -5.019 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 16.413 -1.870 -5.316 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11