REMARK VINA RESULT: -3.4 2.662 7.353 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 12.276 42.743 26.116 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 12.401 47.559 28.089 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 13.056 45.620 21.921 0.00 0.00 0.164 C ATOM 4 C UNL d 1 12.996 48.148 21.601 0.00 0.00 0.127 C ATOM 5 C UNL d 1 13.721 46.837 21.277 0.00 0.00 0.083 C ATOM 6 C UNL d 1 13.175 48.406 23.098 0.00 0.00 0.088 C ATOM 7 C UNL d 1 12.628 45.907 23.365 0.00 0.00 0.014 A ATOM 8 C UNL d 1 12.776 47.196 23.935 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 12.235 44.841 24.207 0.00 0.00 0.090 A ATOM 10 C UNL d 1 12.612 47.355 25.322 0.00 0.00 0.088 A ATOM 11 C UNL d 1 12.114 44.999 25.606 0.00 0.00 0.066 A ATOM 12 C UNL d 1 12.289 46.266 26.154 0.00 0.00 0.066 A ATOM 13 C UNL d 1 11.938 43.845 26.526 0.00 0.00 0.200 C ATOM 14 C UNL d 1 12.164 46.458 27.604 0.00 0.00 0.197 C ATOM 15 C UNL d 1 11.550 44.032 27.952 0.00 0.00 0.062 A ATOM 16 C UNL d 1 11.723 45.335 28.464 0.00 0.00 0.032 A ATOM 17 C UNL d 1 11.117 43.024 28.845 0.00 0.00 0.083 A ATOM 18 C UNL d 1 11.508 45.634 29.822 0.00 0.00 0.017 A ATOM 19 C UNL d 1 10.907 43.360 30.202 0.00 0.00 0.038 A ATOM 20 C UNL d 1 11.106 44.642 30.696 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 11.969 45.058 21.140 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 12.363 44.048 20.178 0.00 0.00 0.263 C ATOM 23 O UNL d 1 11.562 42.859 20.259 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 11.850 41.975 21.349 0.00 0.00 0.151 C ATOM 25 C UNL d 1 13.334 41.556 21.352 0.00 0.00 0.179 C ATOM 26 C UNL d 1 10.927 40.762 21.225 0.00 0.00 0.042 C ATOM 27 C UNL d 1 14.192 42.834 21.398 0.00 0.00 0.253 C ATOM 28 C UNL d 1 13.858 43.703 20.186 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 13.676 40.797 20.179 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 14.147 41.392 19.567 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 15.632 42.545 21.395 0.00 0.00 0.085 N ATOM 32 H UNL d 1 16.127 43.309 21.857 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 15.795 41.736 22.002 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 13.656 49.259 20.761 0.00 0.00 0.184 C ATOM 35 O UNL d 1 12.987 50.129 20.185 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 15.171 49.266 20.615 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 15.776 49.744 21.815 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 16.680 49.371 21.834 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 11.602 48.091 21.296 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 11.302 47.166 21.221 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 11.961 43.628 23.630 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 12.374 43.602 22.747 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 12.833 48.613 25.829 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 12.451 49.276 25.207 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 10.820 41.701 28.698 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 10.041 41.171 27.646 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11