REMARK VINA RESULT: -4.8 1.769 3.224 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 -4.332 -4.264 -0.249 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -5.516 -2.451 1.727 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -4.868 -3.641 2.159 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -6.122 -1.542 2.678 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -4.916 -3.045 -0.637 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -4.383 -4.544 1.145 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -5.523 -2.214 0.333 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -4.760 -3.872 3.565 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -6.031 -1.860 4.043 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -5.347 -2.992 4.480 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -5.038 -2.528 -2.054 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -3.699 -5.212 -1.234 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -4.433 -6.187 -1.933 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -3.784 -7.030 -2.862 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -5.923 -6.409 -1.841 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -2.395 -7.050 -3.108 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -1.613 -6.121 -2.364 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -1.783 -7.956 -4.056 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -2.309 -5.178 -1.523 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -0.192 -6.173 -2.523 0.00 0.00 0.051 A ATOM 21 C UNL d 1 0.392 -7.043 -3.439 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -0.389 -7.904 -4.207 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -1.544 -4.141 -1.023 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -0.606 -4.397 -0.996 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 0.714 -5.401 -1.632 0.00 0.00 0.273 C ATOM 26 O UNL d 1 1.177 -4.301 -1.909 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 1.753 -7.131 -3.587 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 1.896 -7.401 -4.516 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 0.346 -8.690 -5.060 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -0.001 -8.636 -5.960 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -2.625 -8.970 -4.845 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -4.130 -8.877 -4.564 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -2.279 -8.970 -6.338 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -3.988 -5.793 1.592 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -4.415 -6.000 2.440 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -3.916 -4.960 4.112 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -4.350 -5.949 4.690 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -6.811 -0.249 2.218 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -5.909 0.989 2.286 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -7.514 -0.420 0.867 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -5.226 -3.168 5.834 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -6.126 -3.036 6.190 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -6.538 -1.101 5.071 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -6.228 -1.428 5.925 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11