REMARK VINA RESULT: -5.4 2.125 2.726 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 43.348 68.784 56.132 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 39.012 67.830 53.413 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 42.248 63.945 57.496 0.00 0.00 0.164 C ATOM 4 C UNL d 1 40.190 62.513 57.037 0.00 0.00 0.127 C ATOM 5 C UNL d 1 41.721 62.565 57.101 0.00 0.00 0.083 C ATOM 6 C UNL d 1 39.756 63.398 55.867 0.00 0.00 0.088 C ATOM 7 C UNL d 1 41.485 65.067 56.781 0.00 0.00 0.014 A ATOM 8 C UNL d 1 40.376 64.788 55.945 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 41.988 66.389 56.811 0.00 0.00 0.090 A ATOM 10 C UNL d 1 39.869 65.804 55.117 0.00 0.00 0.088 A ATOM 11 C UNL d 1 41.502 67.394 55.945 0.00 0.00 0.066 A ATOM 12 C UNL d 1 40.429 67.096 55.110 0.00 0.00 0.066 A ATOM 13 C UNL d 1 42.174 68.711 55.796 0.00 0.00 0.200 C ATOM 14 C UNL d 1 39.902 68.123 54.204 0.00 0.00 0.197 C ATOM 15 C UNL d 1 41.519 69.850 55.093 0.00 0.00 0.062 A ATOM 16 C UNL d 1 40.423 69.509 54.273 0.00 0.00 0.032 A ATOM 17 C UNL d 1 41.942 71.199 55.103 0.00 0.00 0.083 A ATOM 18 C UNL d 1 39.779 70.460 53.460 0.00 0.00 0.017 A ATOM 19 C UNL d 1 41.271 72.130 54.277 0.00 0.00 0.038 A ATOM 20 C UNL d 1 40.210 71.774 53.456 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 42.312 64.167 58.929 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 43.649 64.327 59.466 0.00 0.00 0.263 C ATOM 23 O UNL d 1 44.645 64.475 58.442 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 45.032 63.278 57.757 0.00 0.00 0.151 C ATOM 25 C UNL d 1 45.516 62.199 58.746 0.00 0.00 0.179 C ATOM 26 C UNL d 1 46.125 63.646 56.753 0.00 0.00 0.042 C ATOM 27 C UNL d 1 44.390 61.946 59.768 0.00 0.00 0.253 C ATOM 28 C UNL d 1 44.063 63.257 60.483 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 46.705 62.609 59.444 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 46.440 62.910 60.333 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 44.755 60.935 60.767 0.00 0.00 0.085 N ATOM 32 H UNL d 1 44.094 60.980 61.545 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 44.597 60.010 60.356 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 39.789 61.044 56.803 0.00 0.00 0.184 C ATOM 35 O UNL d 1 40.068 60.448 55.754 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 38.999 60.319 57.885 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 39.762 60.257 59.088 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 39.440 60.986 59.655 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 39.577 62.985 58.237 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 38.691 63.350 58.052 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 42.971 66.686 57.720 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 42.807 66.177 58.535 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 38.837 65.458 54.279 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 38.754 66.147 53.578 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 42.914 71.876 55.779 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 43.807 72.793 55.184 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11