REMARK VINA RESULT: -3.3 1.594 9.304 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 -4.829 -1.994 2.808 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -2.564 -1.388 1.047 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -3.792 -1.841 0.489 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -1.424 -1.093 0.204 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -3.625 -1.477 3.320 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -4.845 -2.212 1.402 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -2.534 -1.240 2.453 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -3.894 -1.916 -0.934 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -1.574 -1.246 -1.184 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -2.789 -1.631 -1.745 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -3.327 -1.197 4.776 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -6.018 -2.301 3.680 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -7.344 -2.078 3.267 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -8.417 -2.410 4.124 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -7.776 -1.551 1.920 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -8.284 -2.884 5.446 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -6.952 -3.055 5.920 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -9.423 -3.183 6.286 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -5.873 -2.842 4.986 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -6.779 -3.450 7.283 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -7.877 -3.741 8.087 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -9.174 -3.630 7.593 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -4.624 -3.260 5.405 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -4.437 -4.152 5.066 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -5.438 -3.440 7.926 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -4.743 -2.439 8.054 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -7.736 -4.094 9.405 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -8.165 -3.377 9.913 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -10.138 -3.957 8.515 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -10.942 -3.442 8.367 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -10.860 -2.982 5.781 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -11.473 -4.238 5.148 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -11.756 -2.326 6.835 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -5.921 -2.877 0.839 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -6.140 -2.494 -0.027 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -5.190 -2.160 -1.610 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -5.493 -3.207 -2.170 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -0.101 -0.591 0.800 0.00 0.00 0.014 C ATOM 39 C UNL d 1 1.139 -1.276 0.213 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -0.013 0.938 0.801 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -2.869 -1.658 -3.113 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -1.990 -1.367 -3.426 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -0.599 -0.997 -2.121 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -0.570 -1.700 -2.782 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11