REMARK VINA RESULT: -3.7 3.415 8.489 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 6.481 -13.042 9.733 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 9.292 -8.705 10.355 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 11.299 -14.850 9.685 0.00 0.00 0.164 C ATOM 4 C UNL d 1 13.535 -13.628 9.609 0.00 0.00 0.127 C ATOM 5 C UNL d 1 12.727 -14.775 10.226 0.00 0.00 0.083 C ATOM 6 C UNL d 1 12.909 -12.320 10.098 0.00 0.00 0.088 C ATOM 7 C UNL d 1 10.665 -13.458 9.570 0.00 0.00 0.014 A ATOM 8 C UNL d 1 11.405 -12.285 9.857 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 9.275 -13.336 9.340 0.00 0.00 0.090 A ATOM 10 C UNL d 1 10.726 -11.060 9.986 0.00 0.00 0.088 A ATOM 11 C UNL d 1 8.592 -12.111 9.513 0.00 0.00 0.066 A ATOM 12 C UNL d 1 9.330 -10.972 9.821 0.00 0.00 0.066 A ATOM 13 C UNL d 1 7.109 -12.017 9.509 0.00 0.00 0.200 C ATOM 14 C UNL d 1 8.647 -9.686 10.003 0.00 0.00 0.197 C ATOM 15 C UNL d 1 6.408 -10.705 9.427 0.00 0.00 0.062 A ATOM 16 C UNL d 1 7.195 -9.574 9.727 0.00 0.00 0.032 A ATOM 17 C UNL d 1 5.032 -10.502 9.168 0.00 0.00 0.083 A ATOM 18 C UNL d 1 6.642 -8.283 9.803 0.00 0.00 0.017 A ATOM 19 C UNL d 1 4.509 -9.191 9.250 0.00 0.00 0.038 A ATOM 20 C UNL d 1 5.293 -8.091 9.571 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 11.173 -15.602 8.450 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 11.444 -17.020 8.565 0.00 0.00 0.263 C ATOM 23 O UNL d 1 11.516 -17.678 7.291 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 10.265 -17.940 6.643 0.00 0.00 0.151 C ATOM 25 C UNL d 1 9.324 -18.755 7.553 0.00 0.00 0.179 C ATOM 26 C UNL d 1 10.560 -18.681 5.338 0.00 0.00 0.042 C ATOM 27 C UNL d 1 9.144 -17.980 8.872 0.00 0.00 0.253 C ATOM 28 C UNL d 1 10.513 -17.776 9.521 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 9.856 -20.061 7.839 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 10.674 -19.942 8.357 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 8.266 -18.679 9.819 0.00 0.00 0.085 N ATOM 32 H UNL d 1 7.293 -18.499 9.569 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 8.381 -19.687 9.676 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 14.988 -13.770 10.102 0.00 0.00 0.184 C ATOM 35 O UNL d 1 15.492 -14.875 10.343 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 15.812 -12.509 10.325 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 16.487 -12.147 9.122 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 16.590 -12.972 8.607 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 13.517 -13.654 8.181 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 13.350 -12.763 7.821 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 8.587 -14.449 8.929 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 7.633 -14.291 9.054 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 11.485 -9.968 10.332 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 10.939 -9.367 10.890 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 4.007 -11.333 8.823 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 3.419 -12.276 9.692 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11