REMARK VINA RESULT: -6.4 2.682 6.510 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 -19.659 22.093 -29.883 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -15.545 19.719 -32.012 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -16.020 22.809 -26.315 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -13.673 21.836 -26.113 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -14.553 23.085 -25.983 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -13.629 21.465 -27.597 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -16.161 21.912 -27.551 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -15.026 21.365 -28.199 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -17.425 21.759 -28.167 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -15.179 20.766 -29.461 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -17.566 21.194 -29.455 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -16.436 20.685 -30.089 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -18.845 21.242 -30.212 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -16.556 20.089 -31.426 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -19.060 20.425 -31.438 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -17.892 19.910 -32.039 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -20.294 20.198 -32.091 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -17.931 19.220 -33.265 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -20.297 19.498 -33.319 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -19.136 19.019 -33.911 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -16.796 22.308 -25.196 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -17.513 21.074 -25.450 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -18.938 21.253 -25.467 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -19.573 21.393 -24.191 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -19.249 20.200 -23.270 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -21.078 21.523 -24.429 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -17.717 20.092 -23.148 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -17.118 19.904 -24.542 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -19.771 18.966 -23.792 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -19.457 18.875 -24.711 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -17.299 18.974 -22.294 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -16.303 19.065 -22.087 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -17.755 19.081 -21.383 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 -12.271 22.205 -25.589 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -12.024 23.318 -25.107 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -11.154 21.175 -25.699 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -11.527 19.976 -25.022 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -10.773 19.742 -24.445 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 -14.180 20.730 -25.366 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -14.998 20.977 -24.895 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -18.536 22.168 -27.476 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -18.992 22.856 -27.995 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -14.034 20.313 -30.071 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -13.264 20.806 -29.703 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -21.588 20.511 -31.793 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -22.665 19.601 -31.871 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11