REMARK VINA RESULT: -4.5 3.358 9.462 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 8.863 -10.768 7.918 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 13.787 -12.306 8.626 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 8.329 -15.834 8.649 0.00 0.00 0.164 C ATOM 4 C UNL d 1 10.072 -17.688 8.796 0.00 0.00 0.127 C ATOM 5 C UNL d 1 8.778 -17.104 9.374 0.00 0.00 0.083 C ATOM 6 C UNL d 1 11.194 -16.695 9.107 0.00 0.00 0.088 C ATOM 7 C UNL d 1 9.511 -14.902 8.355 0.00 0.00 0.014 A ATOM 8 C UNL d 1 10.842 -15.281 8.661 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 9.272 -13.575 7.930 0.00 0.00 0.090 A ATOM 10 C UNL d 1 11.859 -14.312 8.614 0.00 0.00 0.088 A ATOM 11 C UNL d 1 10.289 -12.595 7.926 0.00 0.00 0.066 A ATOM 12 C UNL d 1 11.587 -12.978 8.255 0.00 0.00 0.066 A ATOM 13 C UNL d 1 10.006 -11.152 7.713 0.00 0.00 0.200 C ATOM 14 C UNL d 1 12.664 -11.981 8.255 0.00 0.00 0.197 C ATOM 15 C UNL d 1 11.096 -10.171 7.448 0.00 0.00 0.062 A ATOM 16 C UNL d 1 12.398 -10.603 7.776 0.00 0.00 0.032 A ATOM 17 C UNL d 1 10.937 -8.842 6.992 0.00 0.00 0.083 A ATOM 18 C UNL d 1 13.509 -9.745 7.689 0.00 0.00 0.017 A ATOM 19 C UNL d 1 12.076 -8.008 6.913 0.00 0.00 0.038 A ATOM 20 C UNL d 1 13.347 -8.441 7.264 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 7.532 -16.081 7.462 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 6.898 -17.383 7.408 0.00 0.00 0.263 C ATOM 23 O UNL d 1 7.422 -18.214 6.361 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 6.979 -17.912 5.032 0.00 0.00 0.151 C ATOM 25 C UNL d 1 5.441 -17.931 4.937 0.00 0.00 0.179 C ATOM 26 C UNL d 1 7.611 -18.934 4.085 0.00 0.00 0.042 C ATOM 27 C UNL d 1 4.884 -16.937 5.975 0.00 0.00 0.253 C ATOM 28 C UNL d 1 5.365 -17.349 7.366 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 4.906 -19.240 5.200 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 5.608 -19.769 5.623 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 3.417 -16.885 5.973 0.00 0.00 0.085 N ATOM 32 H UNL d 1 3.108 -16.150 6.610 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 3.111 -16.564 5.049 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 10.317 -19.041 9.491 0.00 0.00 0.184 C ATOM 35 O UNL d 1 11.337 -19.258 10.160 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 9.285 -20.149 9.323 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 9.086 -20.424 7.938 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 9.573 -21.251 7.750 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 9.998 -17.889 7.385 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 9.174 -18.353 7.144 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 8.009 -13.250 7.505 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 7.721 -13.911 6.848 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 13.117 -14.720 8.986 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 13.781 -14.222 8.454 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 9.865 -8.115 6.566 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 8.646 -8.007 7.270 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11