REMARK VINA RESULT: -3.6 3.046 9.080 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 -2.922 -19.722 6.490 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 1.218 -19.387 3.351 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -1.894 -14.680 6.575 0.00 0.00 0.164 C ATOM 4 C UNL d 1 0.089 -13.369 5.655 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -1.433 -13.428 5.827 0.00 0.00 0.083 C ATOM 6 C UNL d 1 0.481 -14.504 4.707 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -1.140 -15.929 6.105 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -0.090 -15.844 5.157 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -1.600 -17.212 6.484 0.00 0.00 0.090 A ATOM 10 C UNL d 1 0.399 -17.022 4.567 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -1.134 -18.389 5.857 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -0.120 -18.286 4.908 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -1.773 -19.714 6.072 0.00 0.00 0.200 C ATOM 14 C UNL d 1 0.384 -19.494 4.244 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -1.124 -20.978 5.624 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -0.089 -20.829 4.678 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -1.504 -22.292 5.985 0.00 0.00 0.083 A ATOM 18 C UNL d 1 0.535 -21.939 4.079 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -0.855 -23.384 5.367 0.00 0.00 0.038 A ATOM 20 C UNL d 1 0.146 -23.221 4.419 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -1.868 -14.549 8.020 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -3.167 -14.571 8.661 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -4.184 -15.165 7.838 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -4.691 -14.351 6.774 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -5.226 -13.006 7.304 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -5.785 -15.145 6.059 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -4.090 -12.309 8.077 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -3.632 -13.219 9.217 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -6.353 -13.187 8.179 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -7.163 -13.129 7.639 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -4.500 -11.015 8.634 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -4.926 -11.165 9.550 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -3.654 -10.473 8.836 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 0.431 -11.994 5.049 0.00 0.00 0.184 C ATOM 35 O UNL d 1 1.033 -11.885 3.972 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 0.042 -10.738 5.816 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 0.689 -10.721 7.087 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 1.642 -10.592 6.908 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 0.785 -13.526 6.891 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 1.355 -12.754 7.068 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -2.519 -17.296 7.498 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -2.043 -17.411 8.341 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 1.370 -16.874 3.607 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 0.959 -16.488 2.798 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -2.415 -22.799 6.865 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -3.569 -23.519 6.489 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11