REMARK VINA RESULT: -4.2 1.782 9.361 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 -1.163 -16.641 6.055 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -1.287 -13.721 6.288 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -2.455 -14.451 5.932 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -1.313 -12.277 6.398 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -0.047 -15.895 6.475 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.320 -15.875 5.742 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -0.122 -14.484 6.531 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -3.674 -13.727 5.768 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -2.533 -11.621 6.165 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -3.695 -12.331 5.874 0.00 0.00 0.113 A ATOM 11 C UNL d 1 1.315 -16.454 6.823 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -1.141 -18.142 5.941 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -1.718 -18.989 6.905 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -1.685 -20.390 6.727 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -2.459 -18.546 8.143 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -1.026 -21.059 5.674 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -0.371 -20.232 4.718 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -1.005 -22.501 5.559 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -0.532 -18.804 4.842 0.00 0.00 0.089 A ATOM 20 C UNL d 1 0.381 -20.878 3.687 0.00 0.00 0.051 A ATOM 21 C UNL d 1 0.395 -22.265 3.576 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -0.301 -23.062 4.482 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -0.101 -18.055 3.762 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -0.134 -18.587 2.949 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 1.272 -20.106 2.781 0.00 0.00 0.273 C ATOM 26 O UNL d 1 1.112 -20.017 1.570 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 1.132 -22.908 2.614 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 0.871 -22.494 1.768 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -0.183 -24.407 4.227 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 0.132 -24.877 5.010 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -1.697 -23.394 6.600 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -2.860 -24.218 6.033 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -0.694 -24.224 7.407 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -3.405 -16.507 5.159 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -3.944 -15.868 4.663 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -4.977 -14.417 5.618 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -5.556 -14.579 4.551 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -0.060 -11.484 6.795 0.00 0.00 0.014 C ATOM 39 C UNL d 1 0.460 -10.558 5.690 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -0.222 -10.790 8.151 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -4.858 -11.613 5.760 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -4.892 -11.054 6.560 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -2.732 -10.262 6.241 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -2.147 -9.865 6.899 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11