REMARK VINA RESULT: -3.5 1.404 2.043 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 -5.907 -0.870 -0.098 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -1.306 -1.637 2.215 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -7.285 -1.915 4.749 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -5.910 -2.748 6.727 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -6.998 -1.782 6.245 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -4.595 -2.307 6.082 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -5.992 -2.060 3.937 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -4.728 -2.148 4.572 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -6.028 -1.934 2.529 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -3.561 -2.024 3.798 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -4.853 -1.767 1.761 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -3.620 -1.830 2.404 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -4.886 -1.396 0.322 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -2.384 -1.664 1.630 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -3.672 -1.481 -0.536 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -2.444 -1.564 0.153 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -3.632 -1.398 -1.947 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -1.210 -1.533 -0.522 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -2.376 -1.372 -2.594 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -1.175 -1.429 -1.899 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -8.245 -2.952 4.420 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -9.460 -2.935 5.208 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -9.286 -3.512 6.512 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -9.235 -4.942 6.569 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -10.486 -5.573 5.928 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -9.095 -5.347 8.037 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -10.597 -5.053 4.481 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -10.688 -3.527 4.506 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -11.684 -5.232 6.647 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -11.464 -4.515 7.270 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -11.769 -5.590 3.779 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -12.595 -5.471 4.367 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -11.952 -4.996 2.964 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 -5.842 -2.637 8.263 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -6.181 -3.571 9.002 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -5.373 -1.328 8.883 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -4.013 -1.444 9.299 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -3.931 -2.321 9.724 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 -6.182 -4.102 6.364 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -6.923 -4.149 5.732 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -7.249 -1.986 1.906 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -7.292 -1.271 1.244 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -2.366 -2.050 4.475 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -2.547 -1.947 5.439 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -4.593 -1.340 -2.914 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -5.008 -2.443 -3.691 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11