REMARK VINA RESULT: 22.1 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 21.946 7.295 -11.524 0.00 0.00 0.017 A ATOM 2 C UNL d 1 22.920 9.268 -9.586 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 21.534 8.951 -9.636 0.00 0.00 0.025 A ATOM 4 C UNL d 1 23.430 10.247 -8.648 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 23.318 7.579 -11.399 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 21.092 8.043 -10.666 0.00 0.00 0.089 A ATOM 7 C UNL d 1 23.754 8.570 -10.490 0.00 0.00 0.020 A ATOM 8 C UNL d 1 20.671 9.565 -8.678 0.00 0.00 0.051 A ATOM 9 C UNL d 1 22.517 10.859 -7.774 0.00 0.00 0.107 A ATOM 10 C UNL d 1 21.168 10.512 -7.774 0.00 0.00 0.113 A ATOM 11 C UNL d 1 24.431 6.963 -12.219 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 21.412 6.276 -12.496 0.00 0.00 0.017 A ATOM 13 C UNL d 1 21.053 4.971 -12.112 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 20.535 4.070 -13.068 0.00 0.00 0.020 A ATOM 15 C UNL d 1 21.108 4.413 -10.711 0.00 0.00 0.049 C ATOM 16 C UNL d 1 20.416 4.331 -14.450 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 20.836 5.621 -14.883 0.00 0.00 0.025 A ATOM 18 C UNL d 1 19.900 3.357 -15.386 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 21.233 6.573 -13.874 0.00 0.00 0.089 A ATOM 20 C UNL d 1 20.811 5.890 -16.287 0.00 0.00 0.051 A ATOM 21 C UNL d 1 20.310 4.952 -17.184 0.00 0.00 0.113 A ATOM 22 C UNL d 1 19.844 3.716 -16.742 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 21.386 7.877 -14.305 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 20.778 8.062 -15.040 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 21.433 7.118 -16.850 0.00 0.00 0.273 C ATOM 26 O UNL d 1 21.320 7.473 -18.017 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 20.303 5.176 -18.538 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 20.161 6.137 -18.641 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 19.383 2.913 -17.756 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 19.964 2.967 -18.526 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 19.463 1.959 -14.922 0.00 0.00 0.014 C ATOM 32 C UNL d 1 18.349 1.344 -15.778 0.00 0.00 0.015 C ATOM 33 C UNL d 1 20.656 1.024 -14.703 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 19.722 7.955 -10.841 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 19.300 7.610 -10.036 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 19.264 9.134 -8.507 0.00 0.00 0.273 C ATOM 37 O UNL d 1 18.638 9.213 -7.457 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 24.926 10.583 -8.581 0.00 0.00 0.014 C ATOM 39 C UNL d 1 25.490 11.154 -9.887 0.00 0.00 0.015 C ATOM 40 C UNL d 1 25.273 11.422 -7.347 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 20.371 11.089 -6.819 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 19.608 11.452 -7.309 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 22.836 11.795 -6.819 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 22.051 12.284 -6.541 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11