REMARK VINA RESULT: -3.2 2.946 3.643 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 15.473 -32.196 -3.078 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 17.238 -35.201 -6.945 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 20.402 -32.878 -1.766 0.00 0.00 0.164 C ATOM 4 C UNL d 1 22.187 -34.415 -2.740 0.00 0.00 0.127 C ATOM 5 C UNL d 1 21.862 -33.018 -2.200 0.00 0.00 0.083 C ATOM 6 C UNL d 1 21.417 -34.584 -4.052 0.00 0.00 0.088 C ATOM 7 C UNL d 1 19.449 -33.539 -2.768 0.00 0.00 0.014 A ATOM 8 C UNL d 1 19.938 -34.257 -3.888 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 18.059 -33.294 -2.683 0.00 0.00 0.090 A ATOM 10 C UNL d 1 19.045 -34.626 -4.909 0.00 0.00 0.088 A ATOM 11 C UNL d 1 17.173 -33.630 -3.731 0.00 0.00 0.066 A ATOM 12 C UNL d 1 17.674 -34.312 -4.837 0.00 0.00 0.066 A ATOM 13 C UNL d 1 15.761 -33.169 -3.761 0.00 0.00 0.200 C ATOM 14 C UNL d 1 16.776 -34.675 -5.939 0.00 0.00 0.197 C ATOM 15 C UNL d 1 14.772 -33.737 -4.720 0.00 0.00 0.062 A ATOM 16 C UNL d 1 15.318 -34.437 -5.815 0.00 0.00 0.032 A ATOM 17 C UNL d 1 13.369 -33.564 -4.680 0.00 0.00 0.083 A ATOM 18 C UNL d 1 14.513 -34.927 -6.860 0.00 0.00 0.017 A ATOM 19 C UNL d 1 12.589 -34.072 -5.744 0.00 0.00 0.038 A ATOM 20 C UNL d 1 13.145 -34.738 -6.828 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 20.144 -33.319 -0.408 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 20.030 -32.256 0.571 0.00 0.00 0.263 C ATOM 23 O UNL d 1 19.081 -31.248 0.188 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 19.514 -30.319 -0.813 0.00 0.00 0.151 C ATOM 25 C UNL d 1 20.821 -29.616 -0.396 0.00 0.00 0.179 C ATOM 26 C UNL d 1 18.385 -29.312 -1.037 0.00 0.00 0.042 C ATOM 27 C UNL d 1 21.879 -30.700 -0.113 0.00 0.00 0.253 C ATOM 28 C UNL d 1 21.363 -31.624 0.990 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 20.642 -28.810 0.782 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 20.133 -29.335 1.427 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 23.167 -30.133 0.303 0.00 0.00 0.085 N ATOM 32 H UNL d 1 23.499 -30.629 1.132 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 23.861 -30.356 -0.418 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 23.709 -34.476 -2.976 0.00 0.00 0.184 C ATOM 35 O UNL d 1 24.251 -33.869 -3.910 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 24.561 -35.331 -2.048 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 24.150 -35.143 -0.695 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 23.520 -34.395 -0.702 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 21.809 -35.453 -1.835 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 22.074 -36.326 -2.179 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 17.572 -32.721 -1.535 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 17.083 -31.913 -1.774 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 19.586 -35.260 -6.001 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 18.874 -35.406 -6.667 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 12.516 -32.987 -3.785 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 12.133 -33.571 -2.559 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11