REMARK VINA RESULT: -5.3 3.563 7.100 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 1.616 -1.935 8.389 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 1.843 2.087 11.688 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -3.036 0.195 7.833 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -4.188 2.045 9.154 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -3.894 1.459 7.769 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -2.861 2.555 9.721 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -1.895 0.337 8.849 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -1.772 1.491 9.662 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -0.847 -0.612 8.867 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -0.586 1.694 10.388 0.00 0.00 0.088 A ATOM 11 C UNL d 1 0.359 -0.382 9.565 0.00 0.00 0.066 A ATOM 12 C UNL d 1 0.475 0.770 10.338 0.00 0.00 0.066 A ATOM 13 C UNL d 1 1.554 -1.252 9.402 0.00 0.00 0.200 C ATOM 14 C UNL d 1 1.717 1.031 11.076 0.00 0.00 0.197 C ATOM 15 C UNL d 1 2.719 -1.163 10.326 0.00 0.00 0.062 A ATOM 16 C UNL d 1 2.789 0.009 11.106 0.00 0.00 0.032 A ATOM 17 C UNL d 1 3.785 -2.087 10.425 0.00 0.00 0.083 A ATOM 18 C UNL d 1 3.891 0.283 11.937 0.00 0.00 0.017 A ATOM 19 C UNL d 1 4.875 -1.782 11.271 0.00 0.00 0.038 A ATOM 20 C UNL d 1 4.941 -0.612 12.014 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -3.793 -1.025 8.043 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -4.395 -1.155 9.355 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -3.634 -1.998 10.235 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -3.744 -3.409 10.011 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -5.215 -3.869 10.058 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -2.903 -4.118 11.074 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -6.005 -3.053 9.017 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -5.872 -1.565 9.345 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -5.796 -3.669 11.358 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -5.086 -3.767 12.020 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -7.428 -3.409 8.986 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -7.582 -4.225 9.580 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -7.955 -2.660 9.445 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 -5.192 3.199 8.963 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -5.804 3.364 7.899 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -5.412 4.177 10.109 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -5.372 5.517 9.622 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -4.426 5.745 9.524 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 -4.743 1.081 10.050 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -5.053 0.295 9.562 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -1.029 -1.789 8.187 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -1.978 -2.015 8.203 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -0.495 2.862 11.106 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -1.250 3.445 10.858 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 4.030 -3.305 9.861 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 4.674 -3.492 8.619 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11