REMARK VINA RESULT: -4.9 2.403 5.231 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 40.641 68.149 56.506 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 44.452 69.619 53.278 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 43.673 63.992 56.434 0.00 0.00 0.164 C ATOM 4 C UNL d 1 45.684 63.422 54.975 0.00 0.00 0.127 C ATOM 5 C UNL d 1 45.085 63.405 56.385 0.00 0.00 0.083 C ATOM 6 C UNL d 1 45.903 64.888 54.594 0.00 0.00 0.088 C ATOM 7 C UNL d 1 43.558 65.261 55.582 0.00 0.00 0.014 A ATOM 8 C UNL d 1 44.644 65.723 54.796 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 42.418 66.089 55.703 0.00 0.00 0.090 A ATOM 10 C UNL d 1 44.587 67.011 54.237 0.00 0.00 0.088 A ATOM 11 C UNL d 1 42.384 67.399 55.175 0.00 0.00 0.066 A ATOM 12 C UNL d 1 43.470 67.847 54.428 0.00 0.00 0.066 A ATOM 13 C UNL d 1 41.297 68.361 55.496 0.00 0.00 0.200 C ATOM 14 C UNL d 1 43.459 69.202 53.864 0.00 0.00 0.197 C ATOM 15 C UNL d 1 41.127 69.632 54.737 0.00 0.00 0.062 A ATOM 16 C UNL d 1 42.242 70.041 53.977 0.00 0.00 0.032 A ATOM 17 C UNL d 1 40.006 70.492 54.781 0.00 0.00 0.083 A ATOM 18 C UNL d 1 42.269 71.276 53.303 0.00 0.00 0.017 A ATOM 19 C UNL d 1 40.065 71.724 54.090 0.00 0.00 0.038 A ATOM 20 C UNL d 1 41.180 72.124 53.366 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 42.625 63.038 56.121 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 42.587 61.866 56.973 0.00 0.00 0.263 C ATOM 23 O UNL d 1 41.702 60.848 56.480 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 40.302 61.076 56.681 0.00 0.00 0.151 C ATOM 25 C UNL d 1 39.982 61.311 58.171 0.00 0.00 0.179 C ATOM 26 C UNL d 1 39.547 59.865 56.132 0.00 0.00 0.042 C ATOM 27 C UNL d 1 40.840 62.493 58.664 0.00 0.00 0.253 C ATOM 28 C UNL d 1 42.317 62.158 58.454 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 40.271 60.150 58.969 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 40.087 59.361 58.425 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 40.617 62.796 60.083 0.00 0.00 0.085 N ATOM 32 H UNL d 1 41.091 63.669 60.317 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 39.622 63.007 60.211 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 47.019 62.656 55.032 0.00 0.00 0.184 C ATOM 35 O UNL d 1 47.132 61.582 55.640 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 48.239 63.255 54.345 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 49.136 63.786 55.318 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 49.309 64.712 55.055 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 44.828 62.808 54.010 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 45.349 62.309 53.354 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 41.318 65.584 56.349 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 41.489 65.593 57.309 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 45.695 67.430 53.542 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 45.523 68.335 53.189 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 38.778 70.410 55.369 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 37.739 69.562 54.929 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11