REMARK VINA RESULT: 2.3 0.000 0.000 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 4.737 4.385 3.966 0.00 0.00 0.017 A ATOM 2 C UNL d 1 7.281 3.349 2.941 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 6.743 2.831 4.152 0.00 0.00 0.025 A ATOM 4 C UNL d 1 8.541 2.867 2.416 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 5.260 4.824 2.735 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 5.537 3.437 4.661 0.00 0.00 0.089 A ATOM 7 C UNL d 1 6.513 4.343 2.290 0.00 0.00 0.020 A ATOM 8 C UNL d 1 7.442 1.762 4.791 0.00 0.00 0.051 A ATOM 9 C UNL d 1 9.207 1.855 3.127 0.00 0.00 0.107 A ATOM 10 C UNL d 1 8.661 1.300 4.281 0.00 0.00 0.113 A ATOM 11 C UNL d 1 4.637 5.857 1.823 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 3.426 4.883 4.515 0.00 0.00 0.017 A ATOM 13 C UNL d 1 2.289 5.082 3.711 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 1.081 5.528 4.291 0.00 0.00 0.020 A ATOM 15 C UNL d 1 2.192 4.805 2.230 0.00 0.00 0.049 C ATOM 16 C UNL d 1 0.916 5.892 5.644 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 2.068 5.768 6.472 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -0.343 6.367 6.176 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 3.252 5.183 5.892 0.00 0.00 0.089 A ATOM 20 C UNL d 1 1.961 6.211 7.828 0.00 0.00 0.051 A ATOM 21 C UNL d 1 0.747 6.662 8.337 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -0.389 6.720 7.534 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 4.254 4.847 6.784 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 5.025 4.497 6.308 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 3.160 6.326 8.700 0.00 0.00 0.273 C ATOM 26 O UNL d 1 3.391 5.590 9.652 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 0.628 7.119 9.625 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -0.200 7.638 9.641 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -1.499 7.187 8.194 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -1.550 8.150 8.139 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -1.581 6.517 5.280 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -1.259 6.987 3.855 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -2.482 5.279 5.328 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 5.187 3.082 5.952 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 4.355 3.515 6.208 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 6.851 1.014 5.925 0.00 0.00 0.273 C ATOM 37 O UNL d 1 5.764 0.449 5.891 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 9.119 3.413 1.102 0.00 0.00 0.014 C ATOM 39 C UNL d 1 8.762 2.569 -0.127 0.00 0.00 0.015 C ATOM 40 C UNL d 1 8.833 4.907 0.923 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 9.333 0.250 4.852 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 9.910 0.655 5.529 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 10.401 1.280 2.761 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 10.293 0.738 1.968 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11