REMARK VINA RESULT: -5.1 0.000 0.000 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 -4.569 -4.289 3.064 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -3.610 -5.218 5.674 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -2.697 -4.636 4.752 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -3.165 -5.698 6.966 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -5.457 -4.803 4.026 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -3.199 -4.279 3.448 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -4.960 -5.288 5.257 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -1.342 -4.462 5.171 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -1.807 -5.550 7.291 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -0.916 -4.928 6.420 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -6.951 -4.969 3.856 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -5.027 -3.788 1.720 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -5.822 -2.637 1.566 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -6.198 -2.204 0.276 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -6.293 -1.731 2.678 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -5.918 -2.890 -0.925 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -5.174 -4.098 -0.798 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -6.354 -2.410 -2.218 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -4.682 -4.450 0.511 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -4.947 -4.865 -1.984 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -5.363 -4.398 -3.227 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -6.035 -3.184 -3.346 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -3.760 -5.480 0.550 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -3.523 -5.685 1.470 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -4.377 -6.237 -1.919 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -4.824 -7.135 -1.216 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -5.182 -5.129 -4.373 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -4.293 -4.887 -4.698 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -6.372 -2.872 -4.640 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -7.316 -3.012 -4.792 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -7.170 -1.117 -2.354 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -8.105 -0.848 -1.167 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -6.294 0.083 -2.728 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -2.241 -3.953 2.505 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -2.222 -4.618 1.797 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -0.376 -3.671 4.374 0.00 0.00 0.273 C ATOM 37 O UNL d 1 0.254 -2.712 4.802 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -4.150 -6.314 7.970 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -5.129 -5.302 8.575 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -4.831 -7.568 7.413 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 0.368 -4.741 6.863 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 0.461 -5.334 7.634 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -1.226 -5.939 8.475 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -1.892 -6.268 9.093 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11