REMARK VINA RESULT: -4.3 2.289 3.404 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 -1.556 -18.747 6.045 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -0.971 -21.522 5.302 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -0.306 -20.456 4.634 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -0.713 -22.902 4.949 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -2.142 -19.825 6.733 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -0.695 -19.109 4.972 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -1.879 -21.151 6.321 0.00 0.00 0.020 A ATOM 8 C UNL d 1 0.686 -20.790 3.662 0.00 0.00 0.051 A ATOM 9 C UNL d 1 0.231 -23.159 3.942 0.00 0.00 0.107 A ATOM 10 C UNL d 1 0.931 -22.126 3.323 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -3.126 -19.719 7.877 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -1.820 -17.310 6.410 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -1.026 -16.597 7.326 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -1.311 -15.243 7.607 0.00 0.00 0.020 A ATOM 15 C UNL d 1 0.197 -17.126 8.037 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -2.416 -14.524 7.104 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -3.281 -15.238 6.226 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -2.672 -13.143 7.449 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -2.897 -16.575 5.845 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -4.459 -14.569 5.766 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -4.699 -13.239 6.097 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -3.812 -12.532 6.905 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -3.618 -17.134 4.805 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -4.179 -16.461 4.385 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -5.526 -15.300 5.032 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -5.780 -15.136 3.845 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -5.835 -12.586 5.691 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -6.566 -13.007 6.185 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -4.199 -11.233 7.130 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -4.778 -10.921 6.422 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -1.748 -12.378 8.409 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -1.026 -11.192 7.758 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -2.449 -12.023 9.724 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -0.214 -18.118 4.135 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 0.746 -18.211 4.016 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 1.582 -19.764 3.079 0.00 0.00 0.273 C ATOM 37 O UNL d 1 1.607 -19.460 1.893 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -1.418 -24.057 5.676 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -1.091 -24.136 7.171 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -2.920 -24.096 5.375 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 1.903 -22.477 2.422 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 2.705 -22.000 2.713 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 0.600 -24.407 3.498 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -0.054 -24.760 2.881 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11