REMARK VINA RESULT: -5.0 1.562 2.045 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 43.530 68.391 54.884 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 38.366 68.856 55.348 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 42.162 63.722 56.562 0.00 0.00 0.164 C ATOM 4 C UNL d 1 39.927 62.853 57.428 0.00 0.00 0.127 C ATOM 5 C UNL d 1 41.151 62.574 56.549 0.00 0.00 0.083 C ATOM 6 C UNL d 1 39.155 64.002 56.776 0.00 0.00 0.088 C ATOM 7 C UNL d 1 41.467 65.087 56.476 0.00 0.00 0.014 A ATOM 8 C UNL d 1 40.054 65.197 56.482 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 42.230 66.248 56.213 0.00 0.00 0.090 A ATOM 10 C UNL d 1 39.461 66.427 56.148 0.00 0.00 0.088 A ATOM 11 C UNL d 1 41.628 67.470 55.837 0.00 0.00 0.066 A ATOM 12 C UNL d 1 40.238 67.554 55.822 0.00 0.00 0.066 A ATOM 13 C UNL d 1 42.415 68.624 55.329 0.00 0.00 0.200 C ATOM 14 C UNL d 1 39.588 68.812 55.439 0.00 0.00 0.197 C ATOM 15 C UNL d 1 41.814 69.980 55.187 0.00 0.00 0.062 A ATOM 16 C UNL d 1 40.405 70.025 55.198 0.00 0.00 0.032 A ATOM 17 C UNL d 1 42.512 71.188 54.958 0.00 0.00 0.083 A ATOM 18 C UNL d 1 39.698 71.218 54.958 0.00 0.00 0.017 A ATOM 19 C UNL d 1 41.771 72.369 54.724 0.00 0.00 0.038 A ATOM 20 C UNL d 1 40.383 72.393 54.713 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 43.104 63.668 57.664 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 44.490 63.492 57.278 0.00 0.00 0.263 C ATOM 23 O UNL d 1 44.749 62.198 56.710 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 44.838 61.108 57.635 0.00 0.00 0.151 C ATOM 25 C UNL d 1 45.900 61.379 58.719 0.00 0.00 0.179 C ATOM 26 C UNL d 1 45.162 59.843 56.838 0.00 0.00 0.042 C ATOM 27 C UNL d 1 45.544 62.706 59.417 0.00 0.00 0.253 C ATOM 28 C UNL d 1 45.509 63.823 58.375 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 47.221 61.477 58.159 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 47.142 61.899 57.282 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 46.505 63.063 60.468 0.00 0.00 0.085 N ATOM 32 H UNL d 1 46.193 62.667 61.355 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 47.386 62.579 60.271 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 39.083 61.564 57.465 0.00 0.00 0.184 C ATOM 35 O UNL d 1 38.429 61.182 56.484 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 39.031 60.759 58.755 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 40.332 60.273 59.081 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 40.322 59.313 58.890 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 40.283 63.222 58.760 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 39.686 62.801 59.407 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 43.593 66.169 56.342 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 43.874 65.260 56.130 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 38.088 66.457 56.106 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 37.785 65.951 55.315 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 43.835 71.517 54.914 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 44.569 71.708 53.723 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11