REMARK VINA RESULT: -3.3 3.425 8.291 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 20.240 -35.681 1.298 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 21.385 -30.604 1.391 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 18.960 -34.189 -3.458 0.00 0.00 0.164 C ATOM 4 C UNL d 1 18.799 -31.862 -4.486 0.00 0.00 0.127 C ATOM 5 C UNL d 1 19.256 -33.312 -4.676 0.00 0.00 0.083 C ATOM 6 C UNL d 1 19.680 -31.249 -3.395 0.00 0.00 0.088 C ATOM 7 C UNL d 1 19.284 -33.462 -2.146 0.00 0.00 0.014 A ATOM 8 C UNL d 1 19.711 -32.111 -2.138 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 19.326 -34.187 -0.933 0.00 0.00 0.090 A ATOM 10 C UNL d 1 20.236 -31.565 -0.954 0.00 0.00 0.088 A ATOM 11 C UNL d 1 19.894 -33.647 0.243 0.00 0.00 0.066 A ATOM 12 C UNL d 1 20.333 -32.326 0.227 0.00 0.00 0.066 A ATOM 13 C UNL d 1 20.162 -34.471 1.451 0.00 0.00 0.200 C ATOM 14 C UNL d 1 20.924 -31.739 1.435 0.00 0.00 0.197 C ATOM 15 C UNL d 1 20.509 -33.850 2.760 0.00 0.00 0.062 A ATOM 16 C UNL d 1 20.930 -32.505 2.704 0.00 0.00 0.032 A ATOM 17 C UNL d 1 20.540 -34.500 4.015 0.00 0.00 0.083 A ATOM 18 C UNL d 1 21.400 -31.826 3.843 0.00 0.00 0.017 A ATOM 19 C UNL d 1 21.015 -33.787 5.140 0.00 0.00 0.038 A ATOM 20 C UNL d 1 21.449 -32.471 5.064 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 17.622 -34.751 -3.444 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 16.621 -33.937 -2.785 0.00 0.00 0.263 C ATOM 23 O UNL d 1 16.187 -34.493 -1.534 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 15.278 -35.597 -1.615 0.00 0.00 0.151 C ATOM 25 C UNL d 1 14.027 -35.234 -2.439 0.00 0.00 0.179 C ATOM 26 C UNL d 1 14.908 -36.004 -0.188 0.00 0.00 0.042 C ATOM 27 C UNL d 1 14.491 -34.760 -3.830 0.00 0.00 0.253 C ATOM 28 C UNL d 1 15.422 -33.559 -3.663 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 13.261 -34.188 -1.814 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 13.877 -33.470 -1.576 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 13.370 -34.379 -4.697 0.00 0.00 0.085 N ATOM 32 H UNL d 1 12.682 -35.133 -4.706 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 12.879 -33.595 -4.256 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 18.994 -31.137 -5.831 0.00 0.00 0.184 C ATOM 35 O UNL d 1 19.319 -31.745 -6.861 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 18.811 -29.627 -5.884 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 17.433 -29.296 -5.721 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 17.273 -29.257 -4.756 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 17.430 -31.767 -4.093 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 17.093 -32.635 -3.802 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 18.786 -35.448 -0.914 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 19.236 -35.970 -0.225 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 20.697 -30.273 -1.022 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 21.672 -30.276 -0.878 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 20.186 -35.748 4.439 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 19.263 -36.004 5.475 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11