REMARK VINA RESULT: -4.6 3.414 4.359 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 35.314 -35.074 -49.866 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 33.678 -34.488 -44.958 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 37.992 -38.700 -47.384 0.00 0.00 0.164 C ATOM 4 C UNL d 1 38.251 -39.165 -44.891 0.00 0.00 0.127 C ATOM 5 C UNL d 1 38.044 -39.764 -46.287 0.00 0.00 0.083 C ATOM 6 C UNL d 1 36.988 -38.373 -44.547 0.00 0.00 0.088 C ATOM 7 C UNL d 1 37.161 -37.485 -46.954 0.00 0.00 0.014 A ATOM 8 C UNL d 1 36.617 -37.388 -45.649 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 36.779 -36.519 -47.914 0.00 0.00 0.090 A ATOM 10 C UNL d 1 35.660 -36.395 -45.377 0.00 0.00 0.088 A ATOM 11 C UNL d 1 35.787 -35.550 -47.647 0.00 0.00 0.066 A ATOM 12 C UNL d 1 35.242 -35.485 -46.367 0.00 0.00 0.066 A ATOM 13 C UNL d 1 35.207 -34.688 -48.710 0.00 0.00 0.200 C ATOM 14 C UNL d 1 34.212 -34.485 -46.062 0.00 0.00 0.197 C ATOM 15 C UNL d 1 34.365 -33.503 -48.385 0.00 0.00 0.062 A ATOM 16 C UNL d 1 33.850 -33.464 -47.073 0.00 0.00 0.032 A ATOM 17 C UNL d 1 33.971 -32.481 -49.279 0.00 0.00 0.083 A ATOM 18 C UNL d 1 32.947 -32.467 -46.659 0.00 0.00 0.017 A ATOM 19 C UNL d 1 33.065 -31.493 -48.830 0.00 0.00 0.038 A ATOM 20 C UNL d 1 32.547 -31.483 -47.542 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 39.295 -38.308 -47.890 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 39.632 -38.843 -49.194 0.00 0.00 0.263 C ATOM 23 O UNL d 1 40.230 -40.147 -49.122 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 41.603 -40.192 -48.715 0.00 0.00 0.151 C ATOM 25 C UNL d 1 42.484 -39.309 -49.620 0.00 0.00 0.179 C ATOM 26 C UNL d 1 42.053 -41.654 -48.751 0.00 0.00 0.042 C ATOM 27 C UNL d 1 41.916 -37.877 -49.590 0.00 0.00 0.253 C ATOM 28 C UNL d 1 40.467 -37.905 -50.075 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 42.500 -39.784 -50.978 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 42.374 -39.015 -51.564 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 42.683 -36.951 -50.433 0.00 0.00 0.085 N ATOM 32 H UNL d 1 43.040 -36.189 -49.854 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 43.524 -37.437 -50.757 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 38.458 -40.338 -43.912 0.00 0.00 0.184 C ATOM 35 O UNL d 1 37.768 -41.365 -43.967 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 39.521 -40.211 -42.831 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 39.204 -39.129 -41.957 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 38.458 -38.651 -42.373 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 39.383 -38.297 -44.832 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 39.141 -37.394 -45.111 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 37.409 -36.534 -49.132 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 38.039 -35.790 -49.167 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 35.118 -36.390 -44.115 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 34.202 -36.030 -44.165 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 34.287 -32.190 -50.574 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 35.445 -31.488 -50.973 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11