REMARK VINA RESULT: -4.9 1.562 9.033 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 -2.648 -4.924 -0.995 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -1.151 -6.577 -2.900 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -2.574 -6.566 -2.938 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -0.384 -7.392 -3.818 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -1.242 -4.902 -1.032 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -3.264 -5.809 -1.923 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -0.546 -5.746 -1.928 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -3.221 -7.320 -3.964 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -1.087 -8.156 -4.765 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -2.476 -8.107 -4.850 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -0.342 -4.090 -0.127 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -3.450 -4.077 -0.043 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -3.351 -4.199 1.355 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -4.113 -3.357 2.195 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -2.433 -5.138 2.099 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -5.071 -2.420 1.752 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -5.246 -2.320 0.342 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -5.841 -1.602 2.663 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -4.363 -3.089 -0.501 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -6.270 -1.445 -0.139 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -7.005 -0.656 0.740 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -6.781 -0.717 2.114 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -4.393 -2.775 -1.847 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -3.490 -2.642 -2.181 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -6.672 -1.440 -1.570 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -6.303 -0.605 -2.386 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -8.011 0.169 0.305 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -8.563 0.343 1.093 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -7.590 0.128 2.835 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -7.327 0.142 3.765 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -5.664 -1.721 4.184 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -6.290 -2.988 4.782 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -4.213 -1.492 4.617 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -4.629 -6.023 -1.840 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -4.847 -6.513 -1.030 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -4.675 -7.195 -4.222 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -5.515 -8.012 -3.863 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 1.151 -7.396 -3.790 0.00 0.00 0.014 C ATOM 39 C UNL d 1 1.753 -6.383 -2.810 0.00 0.00 0.015 C ATOM 40 C UNL d 1 1.720 -8.810 -3.635 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -3.068 -8.810 -5.867 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -2.801 -9.739 -5.725 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -0.513 -8.970 -5.713 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -0.843 -9.875 -5.634 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11