REMARK VINA RESULT: -4.1 5.119 7.370 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 -8.099 -0.908 3.679 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -9.591 0.795 5.542 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -8.431 1.303 4.894 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -10.342 1.607 6.477 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -9.290 -1.354 4.280 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -7.681 0.398 4.058 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -9.962 -0.530 5.212 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -8.076 2.666 5.130 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -9.903 2.921 6.708 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -8.804 3.448 6.035 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -9.928 -2.713 4.088 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -7.316 -1.748 2.705 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -6.366 -2.702 3.112 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -5.682 -3.476 2.149 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -6.018 -3.052 4.539 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -5.798 -3.321 0.751 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -6.701 -2.315 0.305 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -5.050 -4.128 -0.188 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -7.490 -1.630 1.300 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -6.779 -2.070 -1.102 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -6.062 -2.852 -2.003 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -5.229 -3.875 -1.557 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -8.525 -0.852 0.815 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -8.554 -0.897 -0.156 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -7.521 -0.901 -1.644 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -7.128 -0.207 -2.574 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -6.098 -2.617 -3.354 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -5.264 -2.987 -3.704 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -4.599 -4.548 -2.576 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -4.589 -4.015 -3.382 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -4.064 -5.202 0.294 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -4.186 -6.535 -0.456 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -2.628 -4.674 0.374 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -6.437 0.848 3.651 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -5.877 1.039 4.422 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -7.024 3.345 4.337 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -6.794 4.548 4.377 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -11.603 1.068 7.168 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -11.907 1.742 8.510 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -12.806 1.023 6.219 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -8.509 4.769 6.251 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -7.535 4.804 6.326 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -10.507 3.823 7.552 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -10.430 4.722 7.206 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11