REMARK VINA RESULT: -7.6 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 0.005 4.681 12.836 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 4.941 4.638 11.183 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 0.570 -0.171 11.219 0.00 0.00 0.164 C ATOM 4 C UNL d 1 2.466 -1.287 9.932 0.00 0.00 0.127 C ATOM 5 C UNL d 1 1.461 -1.407 11.082 0.00 0.00 0.083 C ATOM 6 C UNL d 1 3.458 -0.185 10.310 0.00 0.00 0.088 C ATOM 7 C UNL d 1 1.373 1.125 11.051 0.00 0.00 0.014 A ATOM 8 C UNL d 1 2.749 1.102 10.717 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 0.786 2.364 11.399 0.00 0.00 0.090 A ATOM 10 C UNL d 1 3.500 2.285 10.822 0.00 0.00 0.088 A ATOM 11 C UNL d 1 1.555 3.541 11.543 0.00 0.00 0.066 A ATOM 12 C UNL d 1 2.912 3.496 11.236 0.00 0.00 0.066 A ATOM 13 C UNL d 1 1.001 4.787 12.135 0.00 0.00 0.200 C ATOM 14 C UNL d 1 3.732 4.705 11.374 0.00 0.00 0.197 C ATOM 15 C UNL d 1 1.725 6.086 12.043 0.00 0.00 0.062 A ATOM 16 C UNL d 1 3.093 5.999 11.710 0.00 0.00 0.032 A ATOM 17 C UNL d 1 1.198 7.364 12.339 0.00 0.00 0.083 A ATOM 18 C UNL d 1 3.928 7.131 11.700 0.00 0.00 0.017 A ATOM 19 C UNL d 1 2.065 8.481 12.317 0.00 0.00 0.038 A ATOM 20 C UNL d 1 3.415 8.375 12.012 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -0.604 -0.191 10.366 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -1.829 -0.609 11.018 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -2.125 -1.998 10.807 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -2.657 -2.343 9.522 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -3.925 -1.527 9.204 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -2.945 -3.846 9.523 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -3.569 -0.031 9.303 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -3.050 0.266 10.710 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -4.994 -1.822 10.121 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -5.808 -1.946 9.599 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -4.718 0.839 9.024 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -5.575 0.287 9.070 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -4.806 1.507 9.797 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 3.174 -2.650 9.794 0.00 0.00 0.184 C ATOM 35 O UNL d 1 3.034 -3.548 10.635 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 4.093 -2.881 8.603 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 3.344 -3.382 7.497 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 3.993 -3.786 6.887 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 1.841 -0.953 8.692 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 1.070 -1.527 8.528 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -0.571 2.407 11.588 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -0.758 2.278 12.536 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 4.843 2.189 10.550 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 5.043 1.267 10.264 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -0.048 7.818 12.660 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -0.302 8.972 13.432 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11