REMARK VINA RESULT: -4.1 2.635 8.234 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 0.503 -9.037 5.456 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 3.214 -4.779 4.182 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -2.638 -5.252 6.970 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -2.257 -2.737 7.131 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -3.218 -3.859 6.723 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -1.064 -2.791 6.174 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -1.164 -5.333 6.553 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -0.464 -4.190 6.093 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -0.528 -6.593 6.460 0.00 0.00 0.090 A ATOM 10 C UNL d 1 0.793 -4.354 5.487 0.00 0.00 0.088 A ATOM 11 C UNL d 1 0.717 -6.757 5.812 0.00 0.00 0.066 A ATOM 12 C UNL d 1 1.379 -5.626 5.341 0.00 0.00 0.066 A ATOM 13 C UNL d 1 1.281 -8.095 5.496 0.00 0.00 0.200 C ATOM 14 C UNL d 1 2.675 -5.768 4.667 0.00 0.00 0.197 C ATOM 15 C UNL d 1 2.695 -8.264 5.058 0.00 0.00 0.062 A ATOM 16 C UNL d 1 3.338 -7.092 4.607 0.00 0.00 0.032 A ATOM 17 C UNL d 1 3.407 -9.483 4.971 0.00 0.00 0.083 A ATOM 18 C UNL d 1 4.632 -7.120 4.056 0.00 0.00 0.017 A ATOM 19 C UNL d 1 4.707 -9.475 4.415 0.00 0.00 0.038 A ATOM 20 C UNL d 1 5.316 -8.316 3.953 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -2.843 -5.747 8.318 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -4.053 -6.522 8.510 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -5.176 -5.713 8.894 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -5.204 -5.277 10.258 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -5.117 -6.471 11.230 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -6.492 -4.479 10.468 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -3.837 -7.264 10.900 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -3.901 -7.728 9.444 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -6.257 -7.340 11.111 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -7.057 -6.781 11.098 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -3.663 -8.435 11.767 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -3.049 -8.187 12.545 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -4.563 -8.639 12.211 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 -3.019 -1.405 6.996 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -2.801 -0.617 6.065 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -4.048 -1.038 8.057 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -4.404 -2.194 8.813 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -5.287 -2.012 9.193 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 -1.790 -2.879 8.473 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -2.471 -3.295 9.034 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -1.149 -7.675 7.029 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -0.492 -8.176 7.545 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 1.395 -3.220 4.999 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 1.616 -3.362 4.049 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 3.123 -10.767 5.332 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 3.456 -11.337 6.579 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11