REMARK VINA RESULT: -4.3 1.470 2.069 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 8.493 -16.383 6.346 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 3.706 -14.900 7.755 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 9.310 -11.632 8.145 0.00 0.00 0.164 C ATOM 4 C UNL d 1 7.668 -9.808 8.836 0.00 0.00 0.127 C ATOM 5 C UNL d 1 8.970 -10.546 9.168 0.00 0.00 0.083 C ATOM 6 C UNL d 1 6.525 -10.811 9.003 0.00 0.00 0.088 C ATOM 7 C UNL d 1 8.068 -12.437 7.743 0.00 0.00 0.014 A ATOM 8 C UNL d 1 6.781 -12.098 8.227 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 8.217 -13.641 7.015 0.00 0.00 0.090 A ATOM 10 C UNL d 1 5.719 -13.001 8.043 0.00 0.00 0.088 A ATOM 11 C UNL d 1 7.157 -14.563 6.871 0.00 0.00 0.066 A ATOM 12 C UNL d 1 5.904 -14.227 7.376 0.00 0.00 0.066 A ATOM 13 C UNL d 1 7.357 -15.930 6.321 0.00 0.00 0.200 C ATOM 14 C UNL d 1 4.784 -15.166 7.236 0.00 0.00 0.197 C ATOM 15 C UNL d 1 6.208 -16.792 5.928 0.00 0.00 0.062 A ATOM 16 C UNL d 1 4.953 -16.407 6.443 0.00 0.00 0.032 A ATOM 17 C UNL d 1 6.274 -17.988 5.175 0.00 0.00 0.083 A ATOM 18 C UNL d 1 3.800 -17.189 6.253 0.00 0.00 0.017 A ATOM 19 C UNL d 1 5.095 -18.749 5.000 0.00 0.00 0.038 A ATOM 20 C UNL d 1 3.872 -18.368 5.535 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 10.035 -11.146 6.986 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 11.458 -11.418 6.994 0.00 0.00 0.263 C ATOM 23 O UNL d 1 11.789 -12.627 7.696 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 11.765 -12.554 9.127 0.00 0.00 0.151 C ATOM 25 C UNL d 1 12.683 -11.429 9.646 0.00 0.00 0.179 C ATOM 26 C UNL d 1 12.190 -13.918 9.672 0.00 0.00 0.042 C ATOM 27 C UNL d 1 12.239 -10.108 8.989 0.00 0.00 0.253 C ATOM 28 C UNL d 1 12.331 -10.251 7.469 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 14.064 -11.677 9.326 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 14.205 -11.417 8.396 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 13.060 -8.967 9.411 0.00 0.00 0.085 N ATOM 32 H UNL d 1 13.922 -8.953 8.863 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 12.574 -8.107 9.139 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 7.534 -8.640 9.833 0.00 0.00 0.184 C ATOM 35 O UNL d 1 8.524 -8.109 10.355 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 6.141 -8.150 10.204 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 5.335 -8.036 9.033 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 4.439 -7.789 9.340 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 7.655 -9.295 7.504 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 8.531 -8.945 7.259 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 9.431 -13.898 6.433 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 9.655 -14.836 6.579 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 4.510 -12.650 8.592 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 4.507 -12.908 9.544 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 7.280 -18.632 4.517 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 7.180 -19.129 3.200 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11