REMARK VINA RESULT: -5.6 2.067 8.903 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_21 REMARK 2 A between atoms: O_2 and C_22 REMARK 3 A between atoms: O_3 and C_27 REMARK 4 A between atoms: O_4 and C_28 REMARK 5 A between atoms: O_5 and C_29 REMARK 6 A between atoms: O_6 and C_30 REMARK 7 A between atoms: C_9 and C_10 REMARK 8 A between atoms: C_15 and C_19 REMARK 9 A between atoms: C_16 and C_20 REMARK 10 A between atoms: C_25 and C_37 REMARK 11 A between atoms: C_26 and C_38 ROOT ATOM 1 C UNL d 1 14.962 2.369 -8.255 0.00 0.00 0.017 A ATOM 2 C UNL d 1 16.000 0.873 -5.956 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 15.823 0.216 -7.206 0.00 0.00 0.025 A ATOM 4 C UNL d 1 16.498 0.159 -4.799 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 15.217 3.005 -7.026 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 15.224 0.971 -8.279 0.00 0.00 0.089 A ATOM 7 C UNL d 1 15.671 2.249 -5.922 0.00 0.00 0.020 A ATOM 8 C UNL d 1 16.229 -1.149 -7.308 0.00 0.00 0.051 A ATOM 9 C UNL d 1 16.823 -1.198 -4.954 0.00 0.00 0.107 A ATOM 10 C UNL d 1 16.710 -1.836 -6.187 0.00 0.00 0.113 A ATOM 11 C UNL d 1 14.981 4.467 -6.717 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 14.446 3.108 -9.461 0.00 0.00 0.017 A ATOM 13 C UNL d 1 15.231 4.018 -10.192 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 14.695 4.661 -11.329 0.00 0.00 0.020 A ATOM 15 C UNL d 1 16.676 4.359 -9.919 0.00 0.00 0.049 C ATOM 16 C UNL d 1 13.362 4.543 -11.777 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 12.520 3.682 -11.016 0.00 0.00 0.025 A ATOM 18 C UNL d 1 12.863 5.249 -12.936 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 13.121 2.930 -9.942 0.00 0.00 0.089 A ATOM 20 C UNL d 1 11.141 3.607 -11.388 0.00 0.00 0.051 A ATOM 21 C UNL d 1 10.665 4.283 -12.507 0.00 0.00 0.113 A ATOM 22 C UNL d 1 11.513 5.073 -13.280 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 12.338 1.928 -9.400 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 11.609 2.311 -8.885 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 10.145 2.914 -10.528 0.00 0.00 0.273 C ATOM 26 O UNL d 1 9.809 3.302 -9.416 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 9.341 4.249 -12.866 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 9.239 4.942 -13.548 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 10.883 5.666 -14.346 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 10.618 5.004 -14.999 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 13.767 6.190 -13.746 0.00 0.00 0.014 C ATOM 32 C UNL d 1 13.812 5.866 -15.245 0.00 0.00 0.015 C ATOM 33 C UNL d 1 13.481 7.665 -13.446 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 14.842 0.236 -9.388 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 14.218 0.745 -9.933 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 16.292 -1.848 -8.613 0.00 0.00 0.273 C ATOM 37 O UNL d 1 15.523 -2.735 -8.961 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 16.704 0.867 -3.453 0.00 0.00 0.014 C ATOM 39 C UNL d 1 17.605 2.104 -3.537 0.00 0.00 0.015 C ATOM 40 C UNL d 1 15.379 1.124 -2.728 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 17.143 -3.135 -6.264 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 17.241 -3.314 -7.220 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 17.318 -2.014 -3.964 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 16.630 -2.231 -3.321 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11