REMARK VINA RESULT: -5.7 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 8.556 -16.441 6.302 0.00 0.00 0.017 A ATOM 2 C UNL d 1 6.379 -17.982 5.087 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 6.304 -17.615 6.459 0.00 0.00 0.025 A ATOM 4 C UNL d 1 5.325 -18.754 4.461 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 8.564 -16.757 4.932 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 7.441 -16.937 7.033 0.00 0.00 0.089 A ATOM 7 C UNL d 1 7.525 -17.543 4.384 0.00 0.00 0.020 A ATOM 8 C UNL d 1 5.121 -17.960 7.182 0.00 0.00 0.051 A ATOM 9 C UNL d 1 4.216 -19.111 5.245 0.00 0.00 0.107 A ATOM 10 C UNL d 1 4.106 -18.707 6.573 0.00 0.00 0.113 A ATOM 11 C UNL d 1 9.649 -16.393 3.942 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 9.648 -15.636 6.957 0.00 0.00 0.017 A ATOM 13 C UNL d 1 10.816 -16.220 7.482 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 11.814 -15.408 8.062 0.00 0.00 0.020 A ATOM 15 C UNL d 1 11.167 -17.688 7.442 0.00 0.00 0.049 C ATOM 16 C UNL d 1 11.716 -14.013 8.254 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 10.515 -13.400 7.797 0.00 0.00 0.025 A ATOM 18 C UNL d 1 12.764 -13.236 8.880 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 9.569 -14.224 7.085 0.00 0.00 0.089 A ATOM 20 C UNL d 1 10.344 -12.003 8.054 0.00 0.00 0.051 A ATOM 21 C UNL d 1 11.356 -11.258 8.651 0.00 0.00 0.113 A ATOM 22 C UNL d 1 12.552 -11.858 9.038 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 8.549 -13.547 6.442 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 8.692 -13.558 5.481 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 9.042 -11.327 7.814 0.00 0.00 0.273 C ATOM 26 O UNL d 1 8.927 -10.155 7.477 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 11.203 -9.925 8.934 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 12.059 -9.639 9.310 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 13.442 -10.980 9.609 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 13.362 -10.104 9.209 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 14.052 -13.900 9.389 0.00 0.00 0.014 C ATOM 32 C UNL d 1 15.324 -13.395 8.695 0.00 0.00 0.015 C ATOM 33 C UNL d 1 14.142 -13.889 10.918 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 7.438 -16.822 8.412 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 6.577 -17.092 8.772 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 4.857 -17.433 8.541 0.00 0.00 0.273 C ATOM 37 O UNL d 1 4.852 -18.114 9.559 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 5.394 -19.140 2.976 0.00 0.00 0.014 C ATOM 39 C UNL d 1 6.053 -20.501 2.723 0.00 0.00 0.015 C ATOM 40 C UNL d 1 4.042 -18.975 2.275 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 2.944 -19.019 7.230 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 2.878 -19.993 7.184 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 3.129 -19.829 4.804 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 2.449 -19.241 4.451 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11