REMARK VINA RESULT: -4.7 1.856 2.322 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 43.996 67.684 53.043 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 39.241 68.392 55.042 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 43.671 63.855 56.466 0.00 0.00 0.164 C ATOM 4 C UNL d 1 41.926 63.368 58.259 0.00 0.00 0.127 C ATOM 5 C UNL d 1 42.819 62.789 57.156 0.00 0.00 0.083 C ATOM 6 C UNL d 1 40.884 64.257 57.577 0.00 0.00 0.088 C ATOM 7 C UNL d 1 42.866 65.131 56.192 0.00 0.00 0.014 A ATOM 8 C UNL d 1 41.528 65.269 56.637 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 43.395 66.125 55.336 0.00 0.00 0.090 A ATOM 10 C UNL d 1 40.750 66.335 56.152 0.00 0.00 0.088 A ATOM 11 C UNL d 1 42.596 67.170 54.818 0.00 0.00 0.066 A ATOM 12 C UNL d 1 41.275 67.276 55.245 0.00 0.00 0.066 A ATOM 13 C UNL d 1 43.069 68.076 53.739 0.00 0.00 0.200 C ATOM 14 C UNL d 1 40.425 68.353 54.726 0.00 0.00 0.197 C ATOM 15 C UNL d 1 42.335 69.323 53.387 0.00 0.00 0.062 A ATOM 16 C UNL d 1 41.007 69.401 53.855 0.00 0.00 0.032 A ATOM 17 C UNL d 1 42.809 70.374 52.568 0.00 0.00 0.083 A ATOM 18 C UNL d 1 40.157 70.465 53.503 0.00 0.00 0.017 A ATOM 19 C UNL d 1 41.929 71.430 52.236 0.00 0.00 0.038 A ATOM 20 C UNL d 1 40.617 71.479 52.684 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 44.921 64.144 57.145 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 45.939 63.121 57.016 0.00 0.00 0.263 C ATOM 23 O UNL d 1 47.211 63.650 56.608 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 47.338 63.992 55.223 0.00 0.00 0.151 C ATOM 25 C UNL d 1 47.004 62.791 54.316 0.00 0.00 0.179 C ATOM 26 C UNL d 1 48.768 64.485 54.993 0.00 0.00 0.042 C ATOM 27 C UNL d 1 45.584 62.307 54.667 0.00 0.00 0.253 C ATOM 28 C UNL d 1 45.539 61.923 56.146 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 47.933 61.708 54.502 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 47.559 60.918 54.067 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 45.169 61.152 53.861 0.00 0.00 0.085 N ATOM 32 H UNL d 1 45.749 60.348 54.105 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 44.226 60.881 54.156 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 41.259 62.182 58.982 0.00 0.00 0.184 C ATOM 35 O UNL d 1 40.946 61.143 58.384 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 40.950 62.308 60.468 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 42.127 62.059 61.234 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 42.526 62.933 61.417 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 42.660 64.145 59.206 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 42.132 64.297 60.012 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 44.727 66.062 55.017 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 44.885 66.607 54.224 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 39.441 66.380 56.565 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 39.102 67.297 56.441 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 44.011 70.641 51.980 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 45.141 71.135 52.667 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11