REMARK VINA RESULT: -1.6 2.121 5.152 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 1.486 14.139 -16.111 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 1.074 17.018 -20.429 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -3.488 13.593 -17.315 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -4.918 14.780 -19.059 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -4.562 13.446 -18.394 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -3.690 15.233 -19.852 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -2.364 14.537 -17.761 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -2.428 15.227 -18.997 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -1.162 14.599 -17.019 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -1.279 15.875 -19.481 0.00 0.00 0.088 A ATOM 11 C UNL d 1 0.002 15.215 -17.530 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -0.070 15.866 -18.758 0.00 0.00 0.066 A ATOM 13 C UNL d 1 1.329 15.082 -16.873 0.00 0.00 0.200 C ATOM 14 C UNL d 1 1.124 16.518 -19.310 0.00 0.00 0.197 C ATOM 15 C UNL d 1 2.484 15.939 -17.262 0.00 0.00 0.062 A ATOM 16 C UNL d 1 2.364 16.598 -18.503 0.00 0.00 0.032 A ATOM 17 C UNL d 1 3.702 16.078 -16.556 0.00 0.00 0.083 A ATOM 18 C UNL d 1 3.421 17.346 -19.052 0.00 0.00 0.017 A ATOM 19 C UNL d 1 4.742 16.840 -17.135 0.00 0.00 0.038 A ATOM 20 C UNL d 1 4.617 17.462 -18.370 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -4.006 13.955 -16.009 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -3.482 15.190 -15.461 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -3.159 15.087 -14.065 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -4.266 15.119 -13.156 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -5.121 16.386 -13.359 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -3.706 15.045 -11.735 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -5.577 16.425 -14.831 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -4.344 16.429 -15.734 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -4.381 17.583 -13.060 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -3.814 17.782 -13.829 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -6.395 17.604 -15.134 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -6.456 17.718 -16.147 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -7.358 17.407 -14.844 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 -6.119 14.524 -19.990 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -6.183 13.521 -20.714 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -7.241 15.552 -20.039 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -6.725 16.819 -20.442 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -7.457 17.460 -20.333 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 -5.264 15.789 -18.110 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -5.020 15.513 -17.207 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -1.147 14.046 -15.764 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -0.403 13.418 -15.708 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -1.380 16.471 -20.714 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -1.293 17.446 -20.603 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 4.148 15.624 -15.349 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 3.609 16.013 -14.104 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11