REMARK VINA RESULT: -4.6 1.798 8.986 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 2.236 3.098 10.987 0.00 0.00 0.017 A ATOM 2 C UNL d 1 2.700 5.983 11.232 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 1.625 5.377 11.940 0.00 0.00 0.025 A ATOM 4 C UNL d 1 2.947 7.407 11.322 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 3.333 3.716 10.359 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 1.383 3.973 11.715 0.00 0.00 0.089 A ATOM 7 C UNL d 1 3.503 5.116 10.455 0.00 0.00 0.020 A ATOM 8 C UNL d 1 0.846 6.201 12.808 0.00 0.00 0.051 A ATOM 9 C UNL d 1 2.106 8.169 12.148 0.00 0.00 0.107 A ATOM 10 C UNL d 1 1.087 7.578 12.892 0.00 0.00 0.113 A ATOM 11 C UNL d 1 4.362 3.028 9.490 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 1.977 1.617 10.898 0.00 0.00 0.017 A ATOM 13 C UNL d 1 2.939 0.651 11.244 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 2.625 -0.723 11.161 0.00 0.00 0.020 A ATOM 15 C UNL d 1 4.323 0.933 11.778 0.00 0.00 0.049 C ATOM 16 C UNL d 1 1.416 -1.251 10.661 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 0.445 -0.300 10.235 0.00 0.00 0.025 A ATOM 18 C UNL d 1 1.162 -2.672 10.576 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 0.731 1.097 10.455 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -0.756 -0.799 9.641 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -1.000 -2.167 9.566 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -0.069 -3.087 10.043 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -0.330 1.964 10.267 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -0.378 2.600 10.999 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -1.723 0.110 8.972 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -1.662 0.431 7.791 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -2.131 -2.670 8.975 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -2.658 -1.888 8.716 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -0.467 -4.393 9.893 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -0.008 -4.808 9.151 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 2.216 -3.698 11.019 0.00 0.00 0.014 C ATOM 32 C UNL d 1 3.626 -3.402 10.493 0.00 0.00 0.015 C ATOM 33 C UNL d 1 2.166 -3.962 12.527 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 0.191 3.481 12.219 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 0.280 3.284 13.166 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -0.144 5.626 13.748 0.00 0.00 0.273 C ATOM 37 O UNL d 1 0.144 4.956 14.732 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 4.114 8.063 10.571 0.00 0.00 0.014 C ATOM 39 C UNL d 1 3.683 9.182 9.617 0.00 0.00 0.015 C ATOM 40 C UNL d 1 5.252 8.467 11.515 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 0.382 8.386 13.745 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -0.476 7.935 13.872 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 2.211 9.525 12.354 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 2.822 9.923 11.721 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11