REMARK VINA RESULT: -5.1 2.299 4.500 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 -5.471 -0.796 5.148 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -3.793 0.312 3.015 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -3.204 -0.487 4.034 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -2.989 0.884 1.955 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -6.031 -0.063 4.087 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -4.055 -0.932 5.110 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -5.192 0.501 3.099 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -1.809 -0.777 3.935 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -1.612 0.608 1.951 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -1.035 -0.222 2.910 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -7.497 0.268 3.912 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -6.303 -1.395 6.251 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -6.067 -2.679 6.775 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -6.869 -3.173 7.827 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -4.958 -3.615 6.358 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -7.990 -2.513 8.372 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -8.300 -1.239 7.816 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -8.791 -3.083 9.434 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -7.390 -0.693 6.839 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -9.481 -0.581 8.283 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -10.245 -1.129 9.308 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -9.897 -2.347 9.888 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -7.583 0.637 6.516 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -7.121 1.209 7.152 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -10.003 0.638 7.611 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -10.407 0.667 6.455 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -11.397 -0.531 9.753 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -11.568 0.200 9.126 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -10.756 -2.742 10.884 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -10.315 -3.346 11.496 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -8.467 -4.464 10.023 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -7.742 -4.406 11.373 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -9.685 -5.393 10.020 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -3.406 -1.488 6.198 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -3.688 -1.052 7.020 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -1.157 -1.774 4.816 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -0.330 -1.501 5.678 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -3.621 1.736 0.845 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -3.465 1.137 -0.557 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -5.060 2.143 1.180 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 0.297 -0.514 2.768 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 0.322 -1.347 2.259 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -0.713 1.060 1.014 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -0.698 2.026 0.990 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11