REMARK VINA RESULT: -5.0 1.612 9.222 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 2.690 3.043 11.630 0.00 0.00 0.017 A ATOM 2 C UNL d 1 1.841 5.817 12.050 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 3.128 5.546 11.507 0.00 0.00 0.025 A ATOM 4 C UNL d 1 1.398 7.177 12.281 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 1.398 3.347 12.097 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 3.533 4.166 11.404 0.00 0.00 0.089 A ATOM 7 C UNL d 1 1.034 4.692 12.337 0.00 0.00 0.020 A ATOM 8 C UNL d 1 3.938 6.656 11.118 0.00 0.00 0.051 A ATOM 9 C UNL d 1 2.269 8.221 11.932 0.00 0.00 0.107 A ATOM 10 C UNL d 1 3.506 7.969 11.344 0.00 0.00 0.113 A ATOM 11 C UNL d 1 0.325 2.344 12.458 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 3.154 1.631 11.386 0.00 0.00 0.017 A ATOM 13 C UNL d 1 4.130 1.001 12.179 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 4.504 -0.335 11.914 0.00 0.00 0.020 A ATOM 15 C UNL d 1 4.816 1.602 13.382 0.00 0.00 0.049 C ATOM 16 C UNL d 1 4.039 -1.108 10.829 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 3.101 -0.475 9.964 0.00 0.00 0.025 A ATOM 18 C UNL d 1 4.480 -2.465 10.593 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 2.629 0.838 10.330 0.00 0.00 0.089 A ATOM 20 C UNL d 1 2.675 -1.197 8.806 0.00 0.00 0.051 A ATOM 21 C UNL d 1 3.097 -2.505 8.585 0.00 0.00 0.113 A ATOM 22 C UNL d 1 3.966 -3.135 9.471 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 1.543 1.307 9.615 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 1.148 0.588 9.093 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 1.876 -0.542 7.737 0.00 0.00 0.273 C ATOM 26 O UNL d 1 0.651 -0.528 7.704 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 2.725 -3.206 7.466 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 2.873 -2.597 6.716 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 4.279 -4.422 9.105 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 3.697 -5.055 9.547 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 5.504 -3.142 11.516 0.00 0.00 0.014 C ATOM 32 C UNL d 1 5.442 -2.656 12.969 0.00 0.00 0.015 C ATOM 33 C UNL d 1 5.486 -4.668 11.378 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 4.869 3.953 11.111 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 5.120 4.439 10.308 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 5.189 6.475 10.345 0.00 0.00 0.273 C ATOM 37 O UNL d 1 5.237 6.328 9.130 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 0.006 7.475 12.855 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -0.452 6.470 13.918 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -0.137 8.937 13.292 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 4.246 9.053 10.947 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 3.589 9.737 10.712 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 1.999 9.562 12.074 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 1.798 9.965 11.219 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11