REMARK VINA RESULT: -6.1 1.903 8.912 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 13.565 2.560 -9.200 0.00 0.00 0.017 A ATOM 2 C UNL d 1 14.151 -0.126 -8.180 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 14.698 1.014 -7.527 0.00 0.00 0.025 A ATOM 4 C UNL d 1 14.432 -1.465 -7.707 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 12.982 1.417 -9.778 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 14.456 2.306 -8.121 0.00 0.00 0.089 A ATOM 7 C UNL d 1 13.321 0.133 -9.296 0.00 0.00 0.020 A ATOM 8 C UNL d 1 15.467 0.802 -6.342 0.00 0.00 0.051 A ATOM 9 C UNL d 1 15.244 -1.605 -6.570 0.00 0.00 0.107 A ATOM 10 C UNL d 1 15.737 -0.495 -5.889 0.00 0.00 0.113 A ATOM 11 C UNL d 1 12.041 1.402 -10.963 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 13.274 3.955 -9.687 0.00 0.00 0.017 A ATOM 13 C UNL d 1 12.310 4.786 -9.089 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 12.101 6.094 -9.578 0.00 0.00 0.020 A ATOM 15 C UNL d 1 11.468 4.441 -7.885 0.00 0.00 0.049 C ATOM 16 C UNL d 1 12.732 6.647 -10.713 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 13.664 5.806 -11.384 0.00 0.00 0.025 A ATOM 18 C UNL d 1 12.458 7.988 -11.182 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 13.964 4.526 -10.791 0.00 0.00 0.089 A ATOM 20 C UNL d 1 14.257 6.301 -12.588 0.00 0.00 0.051 A ATOM 21 C UNL d 1 13.995 7.593 -13.034 0.00 0.00 0.113 A ATOM 22 C UNL d 1 13.128 8.429 -12.334 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 15.049 3.856 -11.324 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 15.694 4.489 -11.680 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 15.066 5.419 -13.471 0.00 0.00 0.273 C ATOM 26 O UNL d 1 16.276 5.528 -13.628 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 14.528 8.079 -14.201 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 15.143 8.788 -13.929 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 12.983 9.668 -12.909 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 12.071 9.977 -12.831 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 11.439 8.889 -10.468 0.00 0.00 0.014 C ATOM 32 C UNL d 1 12.070 10.090 -9.754 0.00 0.00 0.015 C ATOM 33 C UNL d 1 10.263 9.264 -11.376 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 15.203 3.352 -7.608 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 14.628 4.106 -7.394 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 15.888 1.927 -5.475 0.00 0.00 0.273 C ATOM 37 O UNL d 1 17.046 2.303 -5.342 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 13.832 -2.697 -8.400 0.00 0.00 0.014 C ATOM 39 C UNL d 1 12.387 -2.499 -8.870 0.00 0.00 0.015 C ATOM 40 C UNL d 1 14.758 -3.256 -9.486 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 16.438 -0.727 -4.734 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 16.761 0.151 -4.451 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 15.596 -2.800 -5.987 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 15.184 -3.542 -6.448 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11