REMARK VINA RESULT: -5.2 0.000 0.000 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 40.478 -35.310 -47.644 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 36.077 -35.224 -44.863 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 39.750 -40.297 -46.601 0.00 0.00 0.164 C ATOM 4 C UNL d 1 38.084 -41.448 -45.053 0.00 0.00 0.127 C ATOM 5 C UNL d 1 38.780 -41.465 -46.419 0.00 0.00 0.083 C ATOM 6 C UNL d 1 37.164 -40.225 -45.029 0.00 0.00 0.088 C ATOM 7 C UNL d 1 39.160 -38.984 -46.072 0.00 0.00 0.014 A ATOM 8 C UNL d 1 37.902 -38.951 -45.420 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 39.788 -37.755 -46.383 0.00 0.00 0.090 A ATOM 10 C UNL d 1 37.287 -37.710 -45.180 0.00 0.00 0.088 A ATOM 11 C UNL d 1 39.145 -36.513 -46.178 0.00 0.00 0.066 A ATOM 12 C UNL d 1 37.898 -36.500 -45.560 0.00 0.00 0.066 A ATOM 13 C UNL d 1 39.687 -35.237 -46.714 0.00 0.00 0.200 C ATOM 14 C UNL d 1 37.211 -35.223 -45.332 0.00 0.00 0.197 C ATOM 15 C UNL d 1 39.156 -33.916 -46.277 0.00 0.00 0.062 A ATOM 16 C UNL d 1 37.899 -33.947 -45.636 0.00 0.00 0.032 A ATOM 17 C UNL d 1 39.742 -32.652 -46.519 0.00 0.00 0.083 A ATOM 18 C UNL d 1 37.222 -32.768 -45.273 0.00 0.00 0.017 A ATOM 19 C UNL d 1 39.036 -31.489 -46.138 0.00 0.00 0.038 A ATOM 20 C UNL d 1 37.788 -31.535 -45.531 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 41.078 -40.542 -46.070 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 42.133 -40.604 -47.060 0.00 0.00 0.263 C ATOM 23 O UNL d 1 41.729 -40.086 -48.337 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 40.895 -40.938 -49.130 0.00 0.00 0.151 C ATOM 25 C UNL d 1 41.554 -42.314 -49.357 0.00 0.00 0.179 C ATOM 26 C UNL d 1 40.622 -40.225 -50.456 0.00 0.00 0.042 C ATOM 27 C UNL d 1 41.867 -42.926 -47.978 0.00 0.00 0.253 C ATOM 28 C UNL d 1 42.792 -41.981 -47.210 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 42.772 -42.204 -50.114 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 43.249 -43.051 -50.035 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 42.510 -44.242 -48.081 0.00 0.00 0.085 N ATOM 32 H UNL d 1 42.703 -44.595 -47.142 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 41.824 -44.902 -48.461 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 37.277 -42.755 -44.931 0.00 0.00 0.184 C ATOM 35 O UNL d 1 37.261 -43.419 -43.886 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 36.504 -43.255 -46.144 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 35.277 -43.853 -45.728 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 35.097 -44.577 -46.361 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 39.009 -41.362 -43.970 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 38.835 -42.059 -43.310 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 41.062 -37.790 -46.889 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 41.218 -38.668 -47.282 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 36.039 -37.742 -44.606 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 36.098 -37.359 -43.700 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 40.925 -32.254 -47.069 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 41.901 -31.491 -46.392 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11