REMARK VINA RESULT: -5.6 1.733 8.988 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 3.350 3.168 11.124 0.00 0.00 0.017 A ATOM 2 C UNL d 1 2.813 6.034 11.434 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 1.946 5.083 12.040 0.00 0.00 0.025 A ATOM 4 C UNL d 1 2.568 7.456 11.559 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 4.227 4.135 10.600 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 2.200 3.687 11.782 0.00 0.00 0.089 A ATOM 7 C UNL d 1 3.917 5.509 10.723 0.00 0.00 0.020 A ATOM 8 C UNL d 1 0.872 5.573 12.844 0.00 0.00 0.051 A ATOM 9 C UNL d 1 1.458 7.868 12.315 0.00 0.00 0.107 A ATOM 10 C UNL d 1 0.637 6.948 12.961 0.00 0.00 0.113 A ATOM 11 C UNL d 1 5.492 3.857 9.818 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 3.602 1.689 10.999 0.00 0.00 0.017 A ATOM 13 C UNL d 1 3.262 0.951 9.851 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 3.547 -0.430 9.786 0.00 0.00 0.020 A ATOM 15 C UNL d 1 2.645 1.510 8.591 0.00 0.00 0.049 C ATOM 16 C UNL d 1 4.087 -1.198 10.839 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 4.379 -0.494 12.043 0.00 0.00 0.025 A ATOM 18 C UNL d 1 4.334 -2.619 10.722 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 4.208 0.938 12.042 0.00 0.00 0.089 A ATOM 20 C UNL d 1 4.844 -1.256 13.160 0.00 0.00 0.051 A ATOM 21 C UNL d 1 5.086 -2.621 13.042 0.00 0.00 0.113 A ATOM 22 C UNL d 1 4.855 -3.287 11.841 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 4.738 1.607 13.130 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 4.038 1.813 13.772 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 4.964 -0.650 14.512 0.00 0.00 0.273 C ATOM 26 O UNL d 1 5.246 -1.278 15.526 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 5.504 -3.378 14.108 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 4.806 -3.281 14.785 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 5.147 -4.628 11.897 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 5.759 -4.815 12.621 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 4.003 -3.381 9.430 0.00 0.00 0.014 C ATOM 32 C UNL d 1 2.869 -2.750 8.613 0.00 0.00 0.015 C ATOM 33 C UNL d 1 5.256 -3.688 8.604 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 1.202 2.812 12.176 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 1.354 2.512 13.087 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 0.056 4.669 13.689 0.00 0.00 0.273 C ATOM 37 O UNL d 1 0.194 4.540 14.899 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 3.508 8.487 10.919 0.00 0.00 0.014 C ATOM 39 C UNL d 1 4.972 8.338 11.351 0.00 0.00 0.015 C ATOM 40 C UNL d 1 3.324 8.571 9.400 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -0.362 7.447 13.756 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -0.158 8.397 13.856 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 1.093 9.174 12.541 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 0.325 9.414 12.007 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11