REMARK VINA RESULT: -1.6 2.686 8.785 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 1 111.339 83.619 52.914 0.00 0.00 0.017 A ATOM 2 C UNL d 1 110.448 81.012 53.915 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 110.364 82.158 54.755 0.00 0.00 0.025 A ATOM 4 C UNL d 1 110.028 79.708 54.386 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 111.340 82.481 52.086 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 110.899 83.398 54.248 0.00 0.00 0.089 A ATOM 7 C UNL d 1 110.951 81.228 52.611 0.00 0.00 0.020 A ATOM 8 C UNL d 1 109.776 82.000 56.047 0.00 0.00 0.051 A ATOM 9 C UNL d 1 109.514 79.613 55.689 0.00 0.00 0.107 A ATOM 10 C UNL d 1 109.372 80.738 56.498 0.00 0.00 0.113 A ATOM 11 C UNL d 1 111.802 82.430 50.647 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 111.773 84.977 52.428 0.00 0.00 0.017 A ATOM 13 C UNL d 1 111.315 85.539 51.222 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 111.742 86.828 50.834 0.00 0.00 0.020 A ATOM 15 C UNL d 1 110.324 84.910 50.273 0.00 0.00 0.049 C ATOM 16 C UNL d 1 112.691 87.611 51.524 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 113.227 87.042 52.715 0.00 0.00 0.025 A ATOM 18 C UNL d 1 113.109 88.917 51.064 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 112.679 85.786 53.166 0.00 0.00 0.089 A ATOM 20 C UNL d 1 114.256 87.768 53.392 0.00 0.00 0.051 A ATOM 21 C UNL d 1 114.652 89.027 52.949 0.00 0.00 0.113 A ATOM 22 C UNL d 1 114.075 89.600 51.818 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 113.039 85.397 54.443 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 112.358 84.816 54.822 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 115.025 87.159 54.509 0.00 0.00 0.273 C ATOM 26 O UNL d 1 115.086 87.628 55.639 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 115.656 89.729 53.565 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 116.473 89.490 53.084 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 114.578 90.843 51.522 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 115.182 91.142 52.215 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 112.543 89.523 49.771 0.00 0.00 0.014 C ATOM 32 C UNL d 1 112.683 88.610 48.547 0.00 0.00 0.015 C ATOM 33 C UNL d 1 111.128 90.078 49.964 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 111.027 84.419 55.174 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 110.173 84.859 55.313 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 109.445 83.166 56.899 0.00 0.00 0.273 C ATOM 37 O UNL d 1 109.936 83.381 58.000 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 110.103 78.471 53.480 0.00 0.00 0.014 C ATOM 39 C UNL d 1 108.919 78.341 52.515 0.00 0.00 0.015 C ATOM 40 C UNL d 1 111.467 78.340 52.795 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 108.770 80.564 57.717 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 108.042 81.215 57.737 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 109.061 78.458 56.282 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 109.464 78.337 57.151 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11