REMARK VINA RESULT: -6.4 2.778 6.835 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 -14.416 22.056 -28.377 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -18.843 20.754 -25.966 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -17.694 21.557 -32.312 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -20.078 20.658 -32.390 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -19.107 21.744 -32.867 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -20.268 20.850 -30.884 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -17.716 21.164 -30.830 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -18.935 20.926 -30.148 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -16.520 21.200 -30.076 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -18.927 20.820 -28.747 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -16.523 21.135 -28.664 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -17.733 20.928 -28.007 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -15.311 21.410 -27.850 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -17.765 20.853 -26.542 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -15.253 21.085 -26.397 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -16.498 20.862 -25.773 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -14.095 21.067 -25.586 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -16.607 20.660 -24.385 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -14.240 20.858 -24.195 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -15.476 20.666 -23.592 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -16.865 20.659 -33.095 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -16.080 19.718 -32.321 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -14.672 19.820 -32.584 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -14.214 19.239 -33.811 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -14.615 17.753 -33.910 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -12.695 19.413 -33.873 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -16.145 17.660 -33.758 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -16.551 18.262 -32.412 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -13.988 16.962 -32.885 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -13.906 17.517 -32.088 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -16.634 16.277 -33.829 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -15.888 15.643 -33.537 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -17.359 16.158 -33.114 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 -21.404 20.859 -33.149 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -22.262 19.969 -33.214 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -21.646 22.182 -33.862 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -22.328 23.087 -32.996 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -21.824 23.096 -32.157 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 -19.588 19.340 -32.638 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -19.057 19.020 -31.884 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -15.331 21.293 -30.752 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -15.192 20.469 -31.254 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -20.146 20.657 -28.134 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -20.357 21.476 -27.628 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -12.763 21.206 -25.844 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -12.031 22.396 -25.637 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11