REMARK VINA RESULT: -6.8 2.994 4.829 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 -20.935 20.556 -27.751 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -16.219 19.674 -25.729 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -17.896 20.874 -31.892 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -15.355 20.915 -32.094 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -16.672 20.367 -32.656 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -15.171 20.309 -30.701 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -17.661 20.864 -30.377 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -16.405 20.506 -29.828 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -18.752 21.046 -29.495 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -16.304 20.264 -28.447 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -18.655 20.760 -28.115 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -17.419 20.384 -27.596 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -19.843 20.716 -27.224 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -17.289 20.085 -26.165 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -19.709 20.678 -25.740 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -18.436 20.312 -25.254 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -20.742 20.883 -24.797 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -18.193 20.121 -23.881 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -20.462 20.685 -23.426 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -19.211 20.301 -22.965 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -18.389 22.160 -32.351 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -19.337 22.098 -33.445 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -20.104 23.304 -33.585 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -21.164 23.492 -32.639 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -22.139 22.298 -32.646 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -21.878 24.799 -32.989 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -21.329 21.017 -32.365 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -20.249 20.866 -33.436 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -22.811 22.166 -33.911 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -22.278 21.571 -34.471 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -22.168 19.812 -32.360 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -23.025 20.003 -31.838 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -22.488 19.643 -33.318 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 -14.228 20.474 -33.047 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -14.116 19.301 -33.429 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -13.209 21.508 -33.505 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -12.548 22.076 -32.376 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -11.641 22.295 -32.671 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 -15.356 22.339 -31.992 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -16.122 22.649 -31.474 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -19.929 21.523 -30.013 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -20.576 20.795 -30.041 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -15.078 19.855 -27.981 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -14.384 20.145 -28.619 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -22.048 21.264 -24.900 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -23.146 20.448 -24.551 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11