REMARK VINA RESULT: -4.7 2.747 8.130 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_19 REMARK 2 A between atoms: C_13 and O_1 REMARK 3 A between atoms: C_14 and O_3 REMARK 4 A between atoms: O_4 and C_22 REMARK 5 A between atoms: O_5 and C_24 REMARK 6 A between atoms: O_6 and C_26 REMARK 7 A between atoms: O_8 and C_30 REMARK 8 A between atoms: O_11 and C_35 REMARK 9 A between atoms: N_12 and C_21 REMARK 10 A between atoms: C_14 and C_25 REMARK 11 A between atoms: C_25 and C_30 ROOT ATOM 1 O UNL d 1 -6.469 -3.423 -0.653 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -5.271 -1.609 4.077 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -2.949 -6.815 0.956 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -1.427 -6.791 3.001 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -2.347 -7.627 2.104 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -2.306 -5.769 3.723 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -3.409 -5.429 1.425 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -3.185 -4.988 2.753 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -4.222 -4.636 0.582 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -3.838 -3.831 3.211 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -4.909 -3.498 1.060 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -4.698 -3.092 2.375 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -5.946 -2.797 0.258 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -5.397 -1.911 2.896 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -6.470 -1.460 0.654 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -6.218 -1.077 1.988 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -7.258 -0.597 -0.143 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -6.752 0.105 2.534 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -7.775 0.584 0.437 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -7.539 0.934 1.759 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -2.101 -6.731 -0.218 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -0.952 -5.858 -0.083 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -1.284 -4.471 -0.256 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -1.495 -4.035 -1.604 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -0.275 -4.351 -2.492 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -1.787 -2.533 -1.569 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -0.002 -5.865 -2.408 0.00 0.00 0.253 C ATOM 28 C UNL d 1 0.253 -6.245 -0.949 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 0.896 -3.633 -2.065 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 0.706 -3.247 -1.190 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 1.154 -6.273 -3.216 0.00 0.00 0.085 N ATOM 32 H UNL d 1 0.869 -6.347 -4.194 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 1.834 -5.507 -3.208 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 -0.757 -7.755 4.000 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -1.415 -8.398 4.829 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 0.759 -7.894 3.981 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 1.188 -8.396 2.716 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 0.995 -9.354 2.722 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 -0.418 -6.105 2.260 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 0.196 -6.738 1.842 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -4.326 -4.993 -0.738 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -3.814 -4.361 -1.274 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -3.635 -3.488 4.525 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -4.334 -3.914 5.075 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -7.665 -0.628 -1.445 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -6.795 -0.541 -2.553 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11