REMARK VINA RESULT: -3.3 1.543 2.951 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 -0.497 16.145 -17.762 0.00 0.00 0.017 A ATOM 2 C UNL d 1 2.310 16.757 -17.177 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 1.989 15.831 -18.208 0.00 0.00 0.025 A ATOM 4 C UNL d 1 3.687 17.070 -16.856 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -0.146 17.109 -16.799 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 0.598 15.495 -18.396 0.00 0.00 0.089 A ATOM 7 C UNL d 1 1.215 17.348 -16.504 0.00 0.00 0.020 A ATOM 8 C UNL d 1 3.062 15.281 -18.973 0.00 0.00 0.051 A ATOM 9 C UNL d 1 4.696 16.448 -17.609 0.00 0.00 0.107 A ATOM 10 C UNL d 1 4.392 15.586 -18.659 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -1.110 17.909 -15.950 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -1.927 15.818 -18.101 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -2.631 16.455 -19.139 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -3.964 16.085 -19.422 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -2.075 17.504 -20.071 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -4.725 15.158 -18.679 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -4.064 14.545 -17.576 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -6.098 14.839 -19.002 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -2.663 14.834 -17.387 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -4.831 13.667 -16.748 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -6.150 13.358 -17.065 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -6.767 13.916 -18.182 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -2.003 14.033 -16.474 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -1.043 14.082 -16.616 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -4.295 13.157 -15.458 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -3.865 12.022 -15.292 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -6.914 12.542 -16.270 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -6.958 11.687 -16.742 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -8.066 13.504 -18.350 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -8.184 13.087 -19.214 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -6.816 15.512 -20.181 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -7.258 14.534 -21.276 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -7.930 16.455 -19.715 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 0.348 14.417 -19.227 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 0.138 14.724 -20.125 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 2.817 14.488 -20.201 0.00 0.00 0.273 C ATOM 37 O UNL d 1 3.055 13.292 -20.311 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 4.039 18.079 -15.753 0.00 0.00 0.014 C ATOM 39 C UNL d 1 3.168 17.951 -14.498 0.00 0.00 0.015 C ATOM 40 C UNL d 1 5.542 18.106 -15.455 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 5.439 15.104 -19.400 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 5.957 15.893 -19.654 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 6.047 16.644 -17.442 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 6.250 16.882 -16.528 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11