REMARK VINA RESULT: -3.2 2.809 6.626 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 13.731 42.058 22.905 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 9.991 39.524 25.491 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 13.623 44.565 27.398 0.00 0.00 0.164 C ATOM 4 C UNL d 1 11.990 44.414 29.350 0.00 0.00 0.127 C ATOM 5 C UNL d 1 13.457 44.515 28.918 0.00 0.00 0.083 C ATOM 6 C UNL d 1 11.479 43.043 28.900 0.00 0.00 0.088 C ATOM 7 C UNL d 1 12.697 43.564 26.696 0.00 0.00 0.014 A ATOM 8 C UNL d 1 11.761 42.788 27.424 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 12.886 43.275 25.324 0.00 0.00 0.090 A ATOM 10 C UNL d 1 11.118 41.713 26.786 0.00 0.00 0.088 A ATOM 11 C UNL d 1 12.270 42.167 24.701 0.00 0.00 0.066 A ATOM 12 C UNL d 1 11.372 41.399 25.437 0.00 0.00 0.066 A ATOM 13 C UNL d 1 12.640 41.712 23.335 0.00 0.00 0.200 C ATOM 14 C UNL d 1 10.715 40.245 24.813 0.00 0.00 0.197 C ATOM 15 C UNL d 1 11.814 40.722 22.589 0.00 0.00 0.062 A ATOM 16 C UNL d 1 10.903 39.979 23.367 0.00 0.00 0.032 A ATOM 17 C UNL d 1 11.921 40.404 21.215 0.00 0.00 0.083 A ATOM 18 C UNL d 1 10.141 38.930 22.820 0.00 0.00 0.017 A ATOM 19 C UNL d 1 11.139 39.347 20.697 0.00 0.00 0.038 A ATOM 20 C UNL d 1 10.265 38.608 21.482 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 13.502 45.896 26.833 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 12.947 45.947 25.496 0.00 0.00 0.263 C ATOM 23 O UNL d 1 13.767 46.692 24.581 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 13.703 48.119 24.694 0.00 0.00 0.151 C ATOM 25 C UNL d 1 12.254 48.626 24.563 0.00 0.00 0.179 C ATOM 26 C UNL d 1 14.604 48.714 23.610 0.00 0.00 0.042 C ATOM 27 C UNL d 1 11.401 47.921 25.635 0.00 0.00 0.253 C ATOM 28 C UNL d 1 11.487 46.409 25.425 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 11.706 48.348 23.263 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 11.816 47.394 23.091 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 9.992 48.329 25.591 0.00 0.00 0.085 N ATOM 32 H UNL d 1 9.654 48.262 24.630 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 9.442 47.631 26.101 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 11.951 44.546 30.884 0.00 0.00 0.184 C ATOM 35 O UNL d 1 11.092 43.974 31.569 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 12.983 45.431 31.570 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 13.112 45.059 32.941 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 13.799 44.362 32.972 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 11.177 45.434 28.768 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 11.622 46.301 28.818 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 13.689 44.111 24.592 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 13.676 43.821 23.661 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 10.272 40.955 27.559 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 10.442 40.002 27.373 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 12.650 40.920 20.183 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 14.058 41.024 20.178 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11