REMARK VINA RESULT: -6.5 2.151 5.372 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 -19.178 20.762 -24.227 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -21.914 21.038 -28.648 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -15.477 20.741 -27.802 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -15.614 20.539 -30.339 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -14.959 21.248 -29.149 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -17.087 20.952 -30.357 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -16.998 20.545 -27.819 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -17.753 20.739 -29.002 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -17.693 20.335 -26.606 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -19.155 20.799 -28.919 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -19.099 20.438 -26.521 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -19.826 20.656 -27.689 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -19.821 20.457 -25.222 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -21.288 20.764 -27.630 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -21.301 20.301 -25.146 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -21.998 20.509 -26.354 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -22.061 20.056 -23.979 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -23.404 20.510 -26.410 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -23.472 20.060 -24.071 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -24.144 20.292 -25.263 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -14.789 19.562 -27.310 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -14.023 19.760 -26.096 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -14.655 20.671 -25.182 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -14.557 22.063 -25.507 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -13.087 22.495 -25.676 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -15.247 22.853 -24.394 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -12.446 21.600 -26.755 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -12.554 20.139 -26.318 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -12.347 22.363 -24.450 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -11.598 21.760 -24.617 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -11.034 21.925 -26.988 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -10.915 22.939 -26.962 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -10.492 21.586 -26.187 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 -14.888 21.013 -31.614 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -14.171 22.023 -31.622 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -15.085 20.229 -32.904 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -14.150 19.153 -32.970 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -14.529 18.428 -32.434 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 -15.524 19.118 -30.246 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -14.593 18.828 -30.255 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -16.964 20.012 -25.490 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -16.862 20.812 -24.941 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -19.831 21.056 -30.086 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -20.268 21.937 -30.012 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -21.735 19.787 -22.682 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -20.944 18.693 -22.271 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11