REMARK VINA RESULT: 29.2 0.000 0.000 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 4.736 -4.883 11.391 0.00 0.00 0.017 A ATOM 2 C UNL d 1 4.736 -3.842 8.650 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 5.686 -4.830 9.031 0.00 0.00 0.025 A ATOM 4 C UNL d 1 4.719 -3.299 7.308 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 3.765 -3.959 10.962 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 5.704 -5.243 10.413 0.00 0.00 0.089 A ATOM 7 C UNL d 1 3.820 -3.438 9.649 0.00 0.00 0.020 A ATOM 8 C UNL d 1 6.570 -5.331 8.027 0.00 0.00 0.051 A ATOM 9 C UNL d 1 5.655 -3.794 6.386 0.00 0.00 0.107 A ATOM 10 C UNL d 1 6.551 -4.803 6.731 0.00 0.00 0.113 A ATOM 11 C UNL d 1 2.656 -3.378 11.811 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 4.756 -5.452 12.786 0.00 0.00 0.017 A ATOM 13 C UNL d 1 5.077 -4.682 13.919 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 5.055 -5.270 15.203 0.00 0.00 0.020 A ATOM 15 C UNL d 1 5.404 -3.209 13.925 0.00 0.00 0.049 C ATOM 16 C UNL d 1 4.816 -6.635 15.467 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 4.555 -7.457 14.334 0.00 0.00 0.025 A ATOM 18 C UNL d 1 4.831 -7.185 16.805 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 4.448 -6.814 13.047 0.00 0.00 0.089 A ATOM 20 C UNL d 1 4.395 -8.861 14.556 0.00 0.00 0.051 A ATOM 21 C UNL d 1 4.406 -9.385 15.844 0.00 0.00 0.113 A ATOM 22 C UNL d 1 4.599 -8.561 16.951 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 3.948 -7.597 12.024 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 2.978 -7.545 12.003 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 4.341 -9.821 13.422 0.00 0.00 0.273 C ATOM 26 O UNL d 1 5.184 -10.684 13.210 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 4.283 -10.731 16.080 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 4.796 -10.900 16.895 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 4.579 -9.239 18.145 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 4.839 -8.659 18.873 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 5.128 -6.301 18.026 0.00 0.00 0.014 C ATOM 32 C UNL d 1 6.599 -5.882 18.143 0.00 0.00 0.015 C ATOM 33 C UNL d 1 4.146 -5.131 18.145 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 6.792 -6.009 10.796 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 6.991 -5.867 11.737 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 7.436 -6.508 8.270 0.00 0.00 0.273 C ATOM 37 O UNL d 1 8.048 -7.110 7.396 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 3.687 -2.243 6.888 0.00 0.00 0.014 C ATOM 39 C UNL d 1 2.381 -2.303 7.689 0.00 0.00 0.015 C ATOM 40 C UNL d 1 4.296 -0.839 6.815 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 7.360 -5.291 5.738 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 8.272 -5.142 6.057 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 5.765 -3.396 5.074 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 5.006 -3.698 4.558 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11