REMARK VINA RESULT: -3.9 2.201 9.201 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 17.455 -31.378 -3.754 0.00 0.00 0.017 A ATOM 2 C UNL d 1 15.010 -31.043 -5.337 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 15.120 -32.132 -4.427 0.00 0.00 0.025 A ATOM 4 C UNL d 1 13.820 -30.859 -6.141 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 17.285 -30.273 -4.608 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 16.377 -32.305 -3.740 0.00 0.00 0.089 A ATOM 7 C UNL d 1 16.116 -30.164 -5.395 0.00 0.00 0.020 A ATOM 8 C UNL d 1 13.989 -32.990 -4.270 0.00 0.00 0.051 A ATOM 9 C UNL d 1 12.768 -31.775 -5.980 0.00 0.00 0.107 A ATOM 10 C UNL d 1 12.842 -32.809 -5.051 0.00 0.00 0.113 A ATOM 11 C UNL d 1 18.293 -29.170 -4.845 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 18.690 -31.573 -2.914 0.00 0.00 0.017 A ATOM 13 C UNL d 1 18.995 -30.761 -1.806 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 20.156 -31.012 -1.043 0.00 0.00 0.020 A ATOM 15 C UNL d 1 18.146 -29.630 -1.277 0.00 0.00 0.049 C ATOM 16 C UNL d 1 21.133 -31.984 -1.346 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 20.889 -32.778 -2.503 0.00 0.00 0.025 A ATOM 18 C UNL d 1 22.318 -32.177 -0.540 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 19.633 -32.599 -3.189 0.00 0.00 0.089 A ATOM 20 C UNL d 1 21.900 -33.714 -2.890 0.00 0.00 0.051 A ATOM 21 C UNL d 1 23.036 -33.900 -2.110 0.00 0.00 0.113 A ATOM 22 C UNL d 1 23.233 -33.161 -0.945 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 19.328 -33.553 -4.142 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 19.322 -33.154 -5.028 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 21.836 -34.423 -4.195 0.00 0.00 0.273 C ATOM 26 O UNL d 1 22.733 -34.409 -5.030 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 24.032 -34.770 -2.476 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 23.975 -35.511 -1.841 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 24.403 -33.471 -0.296 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 25.137 -33.533 -0.923 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 22.589 -31.310 0.698 0.00 0.00 0.014 C ATOM 32 C UNL d 1 22.812 -29.827 0.378 0.00 0.00 0.015 C ATOM 33 C UNL d 1 21.560 -31.550 1.807 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 16.531 -33.502 -3.064 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 16.265 -33.403 -2.134 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 13.927 -34.008 -3.195 0.00 0.00 0.273 C ATOM 37 O UNL d 1 13.899 -35.217 -3.387 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 13.691 -29.678 -7.114 0.00 0.00 0.014 C ATOM 39 C UNL d 1 12.685 -28.613 -6.661 0.00 0.00 0.015 C ATOM 40 C UNL d 1 15.055 -29.103 -7.508 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 11.728 -33.593 -4.894 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 11.168 -33.115 -4.252 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 11.570 -31.736 -6.655 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 11.606 -32.282 -7.451 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11