REMARK VINA RESULT: -3.8 3.126 8.785 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 19.811 -35.411 1.452 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 21.672 -30.581 2.010 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 18.618 -33.254 -3.066 0.00 0.00 0.164 C ATOM 4 C UNL d 1 18.762 -30.831 -3.844 0.00 0.00 0.127 C ATOM 5 C UNL d 1 19.001 -32.302 -4.200 0.00 0.00 0.083 C ATOM 6 C UNL d 1 19.753 -30.467 -2.736 0.00 0.00 0.088 C ATOM 7 C UNL d 1 19.081 -32.724 -1.703 0.00 0.00 0.014 A ATOM 8 C UNL d 1 19.697 -31.455 -1.576 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 19.054 -33.574 -0.573 0.00 0.00 0.090 A ATOM 10 C UNL d 1 20.330 -31.117 -0.367 0.00 0.00 0.088 A ATOM 11 C UNL d 1 19.728 -33.247 0.625 0.00 0.00 0.066 A ATOM 12 C UNL d 1 20.351 -32.006 0.725 0.00 0.00 0.066 A ATOM 13 C UNL d 1 19.910 -34.224 1.730 0.00 0.00 0.200 C ATOM 14 C UNL d 1 21.055 -31.640 1.959 0.00 0.00 0.197 C ATOM 15 C UNL d 1 20.381 -33.802 3.079 0.00 0.00 0.062 A ATOM 16 C UNL d 1 20.989 -32.531 3.142 0.00 0.00 0.032 A ATOM 17 C UNL d 1 20.356 -34.580 4.260 0.00 0.00 0.083 A ATOM 18 C UNL d 1 21.584 -32.049 4.322 0.00 0.00 0.017 A ATOM 19 C UNL d 1 20.960 -34.065 5.429 0.00 0.00 0.038 A ATOM 20 C UNL d 1 21.576 -32.822 5.468 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 17.215 -33.623 -3.051 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 16.565 -33.616 -4.346 0.00 0.00 0.263 C ATOM 23 O UNL d 1 15.829 -32.408 -4.593 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 14.567 -32.289 -3.927 0.00 0.00 0.151 C ATOM 25 C UNL d 1 13.649 -33.485 -4.248 0.00 0.00 0.179 C ATOM 26 C UNL d 1 13.933 -30.966 -4.359 0.00 0.00 0.042 C ATOM 27 C UNL d 1 14.392 -34.777 -3.858 0.00 0.00 0.253 C ATOM 28 C UNL d 1 15.705 -34.852 -4.638 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 13.309 -33.537 -5.645 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 13.417 -34.459 -5.944 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 13.604 -35.984 -4.134 0.00 0.00 0.085 N ATOM 32 H UNL d 1 12.726 -35.715 -4.582 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 14.095 -36.529 -4.849 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 19.019 -30.001 -5.116 0.00 0.00 0.184 C ATOM 35 O UNL d 1 20.002 -29.254 -5.223 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 18.017 -30.082 -6.259 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 16.738 -29.627 -5.821 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 16.088 -30.282 -6.147 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 17.432 -30.589 -3.383 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 17.374 -30.705 -2.417 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 18.340 -34.741 -0.658 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 18.202 -34.955 -1.599 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 20.968 -29.901 -0.324 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 21.858 -29.996 -0.738 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 19.839 -35.804 4.569 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 18.653 -36.004 5.307 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11