REMARK VINA RESULT: -5.1 2.025 3.303 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 9.463 -16.465 7.715 0.00 0.00 0.017 A ATOM 2 C UNL d 1 7.516 -18.349 6.595 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 8.234 -17.476 5.730 0.00 0.00 0.025 A ATOM 4 C UNL d 1 6.538 -19.281 6.073 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 8.790 -17.390 8.534 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 9.112 -16.507 6.337 0.00 0.00 0.089 A ATOM 7 C UNL d 1 7.821 -18.253 7.973 0.00 0.00 0.020 A ATOM 8 C UNL d 1 8.022 -17.604 4.323 0.00 0.00 0.051 A ATOM 9 C UNL d 1 6.336 -19.314 4.684 0.00 0.00 0.107 A ATOM 10 C UNL d 1 7.076 -18.506 3.823 0.00 0.00 0.113 A ATOM 11 C UNL d 1 8.942 -17.526 10.033 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 10.482 -15.495 8.253 0.00 0.00 0.017 A ATOM 13 C UNL d 1 11.816 -15.856 8.514 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 12.729 -14.893 8.995 0.00 0.00 0.020 A ATOM 15 C UNL d 1 12.430 -17.214 8.270 0.00 0.00 0.049 C ATOM 16 C UNL d 1 12.402 -13.564 9.339 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 11.042 -13.185 9.152 0.00 0.00 0.025 A ATOM 18 C UNL d 1 13.378 -12.628 9.853 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 10.157 -14.140 8.533 0.00 0.00 0.089 A ATOM 20 C UNL d 1 10.656 -11.873 9.572 0.00 0.00 0.051 A ATOM 21 C UNL d 1 11.598 -10.974 10.062 0.00 0.00 0.113 A ATOM 22 C UNL d 1 12.938 -11.336 10.181 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 8.925 -13.651 8.140 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 8.225 -14.289 8.356 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 9.226 -11.468 9.622 0.00 0.00 0.273 C ATOM 26 O UNL d 1 8.717 -10.647 8.869 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 11.246 -9.722 10.497 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 12.014 -9.151 10.295 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 13.731 -10.331 10.678 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 14.660 -10.491 10.464 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 14.841 -13.041 10.069 0.00 0.00 0.014 C ATOM 32 C UNL d 1 15.006 -14.308 10.918 0.00 0.00 0.015 C ATOM 33 C UNL d 1 15.632 -13.075 8.758 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 9.595 -15.522 5.493 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 10.308 -15.024 5.926 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 8.878 -16.901 3.340 0.00 0.00 0.273 C ATOM 37 O UNL d 1 8.477 -16.053 2.553 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 5.771 -20.235 7.000 0.00 0.00 0.014 C ATOM 39 C UNL d 1 4.250 -20.054 6.949 0.00 0.00 0.015 C ATOM 40 C UNL d 1 6.221 -21.689 6.831 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 6.880 -18.678 2.477 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 7.329 -19.518 2.259 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 5.459 -20.145 4.028 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 4.559 -19.796 4.068 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11