REMARK VINA RESULT: -7.0 3.530 6.875 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 -16.591 21.074 -29.336 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -14.551 21.153 -27.232 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -15.924 21.029 -26.881 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -13.521 21.208 -26.216 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -15.221 21.125 -29.651 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -16.894 21.086 -27.946 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -14.262 21.211 -28.616 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -16.250 20.875 -25.499 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -13.917 21.111 -24.872 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -15.252 20.930 -24.519 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -14.630 21.170 -31.043 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -17.665 21.016 -30.390 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -17.786 19.947 -31.297 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -18.831 19.940 -32.247 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -16.915 18.715 -31.335 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -19.758 20.986 -32.443 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -19.620 22.115 -31.586 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -20.793 20.932 -33.452 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -18.635 22.044 -30.535 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -20.485 23.231 -31.814 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -21.483 23.174 -32.782 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -21.649 22.039 -33.572 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -18.705 23.040 -29.578 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -19.250 22.748 -28.828 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -20.271 24.529 -31.121 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -19.291 25.245 -31.289 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -22.305 24.241 -33.038 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -22.389 24.714 -32.187 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -22.679 22.149 -34.474 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -22.532 22.893 -35.073 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -20.932 19.722 -34.387 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -19.666 18.860 -34.474 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -22.204 18.917 -34.105 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -18.214 21.213 -27.549 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -18.268 21.336 -26.587 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -17.619 20.519 -25.057 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -17.906 19.494 -24.451 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -12.037 21.328 -26.589 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -11.370 22.606 -26.066 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -11.254 20.052 -26.263 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -15.531 20.747 -23.190 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -14.732 21.052 -22.717 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -13.068 21.133 -23.790 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -13.083 20.287 -23.324 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11