REMARK VINA RESULT: -6.2 1.509 1.738 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 0.109 3.696 13.198 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 4.549 4.745 10.690 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 1.549 -0.957 11.537 0.00 0.00 0.164 C ATOM 4 C UNL d 1 3.410 -1.653 9.940 0.00 0.00 0.127 C ATOM 5 C UNL d 1 2.676 -1.951 11.252 0.00 0.00 0.083 C ATOM 6 C UNL d 1 4.154 -0.329 10.129 0.00 0.00 0.088 C ATOM 7 C UNL d 1 1.972 0.482 11.221 0.00 0.00 0.014 A ATOM 8 C UNL d 1 3.234 0.771 10.646 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 1.171 1.562 11.659 0.00 0.00 0.090 A ATOM 10 C UNL d 1 3.682 2.103 10.608 0.00 0.00 0.088 A ATOM 11 C UNL d 1 1.643 2.894 11.656 0.00 0.00 0.066 A ATOM 12 C UNL d 1 2.898 3.157 11.113 0.00 0.00 0.066 A ATOM 13 C UNL d 1 0.914 4.001 12.329 0.00 0.00 0.200 C ATOM 14 C UNL d 1 3.411 4.532 11.094 0.00 0.00 0.197 C ATOM 15 C UNL d 1 1.274 5.428 12.100 0.00 0.00 0.062 A ATOM 16 C UNL d 1 2.544 5.652 11.529 0.00 0.00 0.032 A ATOM 17 C UNL d 1 0.511 6.558 12.478 0.00 0.00 0.083 A ATOM 18 C UNL d 1 3.065 6.948 11.363 0.00 0.00 0.017 A ATOM 19 C UNL d 1 1.064 7.846 12.294 0.00 0.00 0.038 A ATOM 20 C UNL d 1 2.326 8.049 11.754 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 0.287 -1.298 10.908 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -0.363 -0.208 10.209 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -1.767 -0.118 10.501 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -2.611 -1.077 9.853 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -2.435 -1.032 8.322 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -4.055 -0.779 10.258 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -0.945 -1.261 8.004 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -0.116 -0.178 8.696 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -2.848 0.232 7.774 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -2.082 0.836 7.807 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -0.666 -1.228 6.563 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -1.548 -1.172 6.053 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -0.195 -0.343 6.350 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 4.392 -2.813 9.687 0.00 0.00 0.184 C ATOM 35 O UNL d 1 4.812 -3.527 10.608 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 4.880 -3.064 8.267 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 3.882 -3.759 7.523 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 3.169 -3.977 8.157 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 2.519 -1.539 8.830 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 1.605 -1.388 9.134 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -0.103 1.291 12.087 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -0.427 2.050 12.606 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 4.941 2.315 10.101 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 5.551 1.635 10.473 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -0.734 6.717 13.013 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -1.141 7.842 13.761 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11