REMARK VINA RESULT: -4.0 1.827 3.117 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 19.414 -32.666 -3.873 0.00 0.00 0.017 A ATOM 2 C UNL d 1 22.105 -33.760 -3.473 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 21.497 -32.985 -2.446 0.00 0.00 0.025 A ATOM 4 C UNL d 1 23.438 -34.303 -3.310 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 20.015 -33.496 -4.837 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 20.212 -32.393 -2.727 0.00 0.00 0.089 A ATOM 7 C UNL d 1 21.332 -33.969 -4.639 0.00 0.00 0.020 A ATOM 8 C UNL d 1 22.207 -32.827 -1.217 0.00 0.00 0.051 A ATOM 9 C UNL d 1 24.104 -34.060 -2.098 0.00 0.00 0.107 A ATOM 10 C UNL d 1 23.496 -33.353 -1.064 0.00 0.00 0.113 A ATOM 11 C UNL d 1 19.407 -33.903 -6.161 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 18.028 -32.101 -4.037 0.00 0.00 0.017 A ATOM 13 C UNL d 1 17.778 -30.860 -4.649 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 16.452 -30.396 -4.794 0.00 0.00 0.020 A ATOM 15 C UNL d 1 18.816 -29.944 -5.252 0.00 0.00 0.049 C ATOM 16 C UNL d 1 15.305 -31.043 -4.286 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 15.530 -32.270 -3.599 0.00 0.00 0.025 A ATOM 18 C UNL d 1 13.971 -30.506 -4.444 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 16.874 -32.794 -3.581 0.00 0.00 0.089 A ATOM 20 C UNL d 1 14.402 -32.909 -2.995 0.00 0.00 0.051 A ATOM 21 C UNL d 1 13.120 -32.391 -3.154 0.00 0.00 0.113 A ATOM 22 C UNL d 1 12.905 -31.224 -3.881 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 17.006 -34.095 -3.132 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 16.687 -34.169 -2.217 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 14.569 -34.066 -2.077 0.00 0.00 0.273 C ATOM 26 O UNL d 1 14.212 -35.209 -2.339 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 12.027 -32.970 -2.560 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 11.618 -33.525 -3.253 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 11.583 -30.855 -3.941 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 11.008 -31.609 -3.753 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 13.730 -29.174 -5.171 0.00 0.00 0.014 C ATOM 32 C UNL d 1 13.062 -29.330 -6.543 0.00 0.00 0.015 C ATOM 33 C UNL d 1 13.047 -28.140 -4.270 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 19.772 -31.452 -1.812 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 19.040 -30.934 -2.186 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 21.569 -32.231 -0.020 0.00 0.00 0.273 C ATOM 37 O UNL d 1 21.945 -31.200 0.525 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 24.092 -35.152 -4.409 0.00 0.00 0.014 C ATOM 39 C UNL d 1 25.256 -34.450 -5.120 0.00 0.00 0.015 C ATOM 40 C UNL d 1 24.435 -36.563 -3.920 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 24.184 -33.249 0.117 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 24.972 -33.816 0.002 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 25.363 -34.512 -1.779 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 25.642 -34.173 -0.919 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11