REMARK VINA RESULT: -6.9 2.842 6.923 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 -14.784 22.231 -28.568 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -19.191 20.905 -26.134 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -18.011 21.453 -32.501 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -20.366 20.478 -32.555 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -19.424 21.570 -33.074 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -20.575 20.733 -31.061 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -18.034 21.127 -31.003 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -19.251 20.884 -30.319 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -16.847 21.234 -30.242 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -19.253 20.842 -28.914 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -16.861 21.234 -28.829 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -18.069 21.020 -28.172 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -15.664 21.583 -28.019 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -18.111 21.011 -26.705 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -15.609 21.326 -26.552 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -16.852 21.094 -25.928 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -14.458 21.381 -25.732 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -16.968 20.953 -24.533 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -14.609 21.232 -24.335 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -15.844 21.029 -23.733 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -17.149 20.545 -33.235 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -16.380 19.631 -32.415 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -14.968 19.712 -32.664 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -14.500 19.079 -33.861 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -14.911 17.593 -33.906 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -12.979 19.239 -33.911 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -16.444 17.517 -33.769 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -16.861 18.175 -32.454 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -14.302 16.839 -32.843 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -14.536 17.271 -32.000 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -16.942 16.136 -33.791 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -16.446 15.613 -34.514 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -16.662 15.683 -32.915 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 -21.690 20.604 -33.332 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -22.251 21.696 -33.497 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -22.339 19.342 -33.885 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -22.605 18.425 -32.825 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -21.752 17.996 -32.613 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 -19.834 19.166 -32.739 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -18.941 19.097 -32.351 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -15.655 21.333 -30.913 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -15.815 21.162 -31.859 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -20.471 20.670 -28.304 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -21.181 20.927 -28.938 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -13.129 21.549 -25.987 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -12.319 22.531 -25.376 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11