REMARK VINA RESULT: -6.1 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 13.737 45.238 22.152 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 13.049 49.389 25.217 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 12.315 43.082 26.603 0.00 0.00 0.164 C ATOM 4 C UNL d 1 11.999 44.098 28.919 0.00 0.00 0.127 C ATOM 5 C UNL d 1 11.448 43.135 27.862 0.00 0.00 0.083 C ATOM 6 C UNL d 1 11.873 45.514 28.351 0.00 0.00 0.088 C ATOM 7 C UNL d 1 12.782 44.480 26.179 0.00 0.00 0.014 A ATOM 8 C UNL d 1 12.487 45.624 26.960 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 13.369 44.669 24.906 0.00 0.00 0.090 A ATOM 10 C UNL d 1 12.708 46.901 26.416 0.00 0.00 0.088 A ATOM 11 C UNL d 1 13.549 45.954 24.348 0.00 0.00 0.066 A ATOM 12 C UNL d 1 13.229 47.069 25.119 0.00 0.00 0.066 A ATOM 13 C UNL d 1 13.939 46.160 22.929 0.00 0.00 0.200 C ATOM 14 C UNL d 1 13.410 48.415 24.565 0.00 0.00 0.197 C ATOM 15 C UNL d 1 14.380 47.491 22.423 0.00 0.00 0.062 A ATOM 16 C UNL d 1 14.055 48.592 23.243 0.00 0.00 0.032 A ATOM 17 C UNL d 1 15.003 47.753 21.181 0.00 0.00 0.083 A ATOM 18 C UNL d 1 14.305 49.916 22.840 0.00 0.00 0.017 A ATOM 19 C UNL d 1 15.242 49.095 20.808 0.00 0.00 0.038 A ATOM 20 C UNL d 1 14.893 50.170 21.615 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 13.422 42.148 26.686 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 13.369 41.048 25.745 0.00 0.00 0.263 C ATOM 23 O UNL d 1 12.313 41.190 24.781 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 10.990 40.896 25.245 0.00 0.00 0.151 C ATOM 25 C UNL d 1 10.908 39.476 25.841 0.00 0.00 0.179 C ATOM 26 C UNL d 1 10.032 41.062 24.064 0.00 0.00 0.042 C ATOM 27 C UNL d 1 11.956 39.369 26.966 0.00 0.00 0.253 C ATOM 28 C UNL d 1 13.341 39.655 26.386 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 11.170 38.466 24.851 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 10.340 38.303 24.365 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 11.967 38.044 27.598 0.00 0.00 0.085 N ATOM 32 H UNL d 1 12.368 37.366 26.947 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 12.632 38.069 28.377 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 11.141 43.929 30.188 0.00 0.00 0.184 C ATOM 35 O UNL d 1 10.168 43.164 30.223 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 11.488 44.751 31.422 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 12.782 44.390 31.902 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 13.242 45.229 32.107 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 13.366 43.838 29.236 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 13.437 43.300 30.047 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 13.778 43.559 24.211 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 13.331 42.776 24.583 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 12.341 47.974 27.193 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 13.036 48.669 27.121 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 15.474 46.958 20.178 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 16.453 45.956 20.349 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11