REMARK VINA RESULT: -3.3 2.976 8.919 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 -4.150 -19.693 6.589 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 0.817 -20.366 5.184 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -2.239 -14.935 7.028 0.00 0.00 0.164 C ATOM 4 C UNL d 1 0.161 -14.086 6.894 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -1.301 -13.850 6.497 0.00 0.00 0.083 C ATOM 6 C UNL d 1 0.632 -15.343 6.159 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -1.631 -16.334 6.871 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -0.317 -16.516 6.373 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -2.442 -17.478 7.059 0.00 0.00 0.090 A ATOM 10 C UNL d 1 0.106 -17.806 6.008 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -2.027 -18.765 6.650 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -0.742 -18.922 6.138 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -2.951 -19.929 6.621 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -0.284 -20.249 5.710 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -2.451 -21.321 6.446 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -1.137 -21.438 5.945 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -3.188 -22.511 6.647 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -0.575 -22.686 5.619 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -2.592 -23.748 6.313 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -1.307 -23.844 5.797 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -2.707 -14.702 8.382 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -4.119 -14.398 8.499 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -4.895 -14.936 7.417 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -4.817 -14.233 6.171 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -5.196 -12.749 6.341 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -5.745 -14.936 5.179 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -4.270 -12.139 7.412 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -4.440 -12.914 8.718 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -6.565 -12.590 6.753 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -7.051 -12.176 6.016 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -4.554 -10.720 7.658 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -5.511 -10.625 8.003 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -3.972 -10.410 8.442 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 0.964 -12.848 6.451 0.00 0.00 0.184 C ATOM 35 O UNL d 1 1.365 -12.003 7.263 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 1.243 -12.647 4.968 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 0.371 -11.650 4.437 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -0.281 -11.455 5.139 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 0.322 -14.274 8.300 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 0.396 -15.223 8.516 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -3.660 -17.314 7.667 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -4.360 -17.423 6.997 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 1.365 -17.912 5.469 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 1.487 -18.829 5.128 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -4.435 -22.774 7.134 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -4.742 -22.915 8.504 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11