REMARK VINA RESULT: -6.6 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_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 32.049 74.355 105.722 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 33.947 78.175 102.736 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 27.812 76.139 103.410 0.00 0.00 0.164 C ATOM 4 C UNL d 1 27.452 78.200 101.953 0.00 0.00 0.127 C ATOM 5 C UNL d 1 27.151 76.711 102.155 0.00 0.00 0.083 C ATOM 6 C UNL d 1 28.946 78.322 101.646 0.00 0.00 0.088 C ATOM 7 C UNL d 1 29.250 76.646 103.572 0.00 0.00 0.014 A ATOM 8 C UNL d 1 29.801 77.601 102.681 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 30.108 76.036 104.517 0.00 0.00 0.090 A ATOM 10 C UNL d 1 31.184 77.846 102.708 0.00 0.00 0.088 A ATOM 11 C UNL d 1 31.504 76.255 104.511 0.00 0.00 0.066 A ATOM 12 C UNL d 1 32.033 77.176 103.611 0.00 0.00 0.066 A ATOM 13 C UNL d 1 32.442 75.447 105.333 0.00 0.00 0.200 C ATOM 14 C UNL d 1 33.479 77.425 103.586 0.00 0.00 0.197 C ATOM 15 C UNL d 1 33.863 75.850 105.524 0.00 0.00 0.062 A ATOM 16 C UNL d 1 34.355 76.800 104.604 0.00 0.00 0.032 A ATOM 17 C UNL d 1 34.770 75.312 106.466 0.00 0.00 0.083 A ATOM 18 C UNL d 1 35.708 77.187 104.589 0.00 0.00 0.017 A ATOM 19 C UNL d 1 36.121 75.725 106.425 0.00 0.00 0.038 A ATOM 20 C UNL d 1 36.596 76.643 105.497 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 27.037 76.325 104.623 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 27.813 76.375 105.845 0.00 0.00 0.263 C ATOM 23 O UNL d 1 27.565 75.255 106.709 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 26.340 75.287 107.451 0.00 0.00 0.151 C ATOM 25 C UNL d 1 26.228 76.575 108.291 0.00 0.00 0.179 C ATOM 26 C UNL d 1 26.294 74.039 108.334 0.00 0.00 0.042 C ATOM 27 C UNL d 1 26.364 77.780 107.340 0.00 0.00 0.253 C ATOM 28 C UNL d 1 27.709 77.696 106.617 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 27.254 76.648 109.296 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 27.748 77.478 109.159 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 26.280 79.065 108.045 0.00 0.00 0.085 N ATOM 32 H UNL d 1 27.224 79.412 108.221 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 25.874 79.754 107.404 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 26.597 78.687 100.767 0.00 0.00 0.184 C ATOM 35 O UNL d 1 26.227 77.919 99.869 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 26.227 80.161 100.687 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 27.407 80.963 100.690 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 27.303 81.600 101.425 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 27.144 78.981 103.108 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 27.555 79.864 103.049 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 29.549 75.218 105.464 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 28.659 75.552 105.680 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 31.672 78.731 101.777 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 32.603 78.954 102.010 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 34.643 74.424 107.494 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 34.862 73.034 107.378 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11