REMARK VINA RESULT: -6.5 1.665 2.108 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 31.973 75.466 105.662 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 34.815 77.879 102.029 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 28.356 77.379 102.542 0.00 0.00 0.164 C ATOM 4 C UNL d 1 28.534 79.000 100.583 0.00 0.00 0.127 C ATOM 5 C UNL d 1 27.900 77.712 101.120 0.00 0.00 0.083 C ATOM 6 C UNL d 1 30.031 78.732 100.414 0.00 0.00 0.088 C ATOM 7 C UNL d 1 29.861 77.610 102.722 0.00 0.00 0.014 A ATOM 8 C UNL d 1 30.652 78.158 101.683 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 30.515 77.117 103.875 0.00 0.00 0.090 A ATOM 10 C UNL d 1 32.053 78.118 101.793 0.00 0.00 0.088 A ATOM 11 C UNL d 1 31.923 77.040 103.961 0.00 0.00 0.066 A ATOM 12 C UNL d 1 32.686 77.559 102.919 0.00 0.00 0.066 A ATOM 13 C UNL d 1 32.617 76.311 105.055 0.00 0.00 0.200 C ATOM 14 C UNL d 1 34.151 77.496 102.986 0.00 0.00 0.197 C ATOM 15 C UNL d 1 34.081 76.455 105.287 0.00 0.00 0.062 A ATOM 16 C UNL d 1 34.816 77.004 104.215 0.00 0.00 0.032 A ATOM 17 C UNL d 1 34.799 76.019 106.424 0.00 0.00 0.083 A ATOM 18 C UNL d 1 36.220 77.092 104.246 0.00 0.00 0.017 A ATOM 19 C UNL d 1 36.208 76.125 106.423 0.00 0.00 0.038 A ATOM 20 C UNL d 1 36.919 76.645 105.350 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 27.583 78.035 103.580 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 26.558 77.215 104.193 0.00 0.00 0.263 C ATOM 23 O UNL d 1 26.228 77.639 105.525 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 27.165 77.286 106.551 0.00 0.00 0.151 C ATOM 25 C UNL d 1 27.417 75.766 106.579 0.00 0.00 0.179 C ATOM 26 C UNL d 1 26.607 77.785 107.885 0.00 0.00 0.042 C ATOM 27 C UNL d 1 27.898 75.334 105.180 0.00 0.00 0.253 C ATOM 28 C UNL d 1 26.831 75.707 104.150 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 26.227 75.033 106.918 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 26.431 74.472 107.689 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 28.160 73.892 105.095 0.00 0.00 0.085 N ATOM 32 H UNL d 1 28.422 73.545 106.019 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 27.274 73.419 104.890 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 27.867 79.312 99.229 0.00 0.00 0.184 C ATOM 35 O UNL d 1 27.203 78.465 98.617 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 28.060 80.693 98.618 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 27.300 81.658 99.343 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 26.473 81.793 98.837 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 28.351 80.108 101.465 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 27.408 80.348 101.528 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 29.743 76.713 104.934 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 29.721 77.428 105.595 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 32.769 78.603 100.726 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 33.249 79.416 101.010 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 34.428 75.485 107.624 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 34.445 74.105 107.920 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11