REMARK VINA RESULT: -4.4 0.000 0.000 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 32.941 7.028 29.061 0.00 0.00 0.017 A ATOM 2 C UNL d 1 30.212 6.854 28.003 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 30.861 8.118 28.081 0.00 0.00 0.025 A ATOM 4 C UNL d 1 28.860 6.737 27.497 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 32.298 5.787 28.904 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 32.166 8.163 28.693 0.00 0.00 0.089 A ATOM 7 C UNL d 1 30.964 5.738 28.437 0.00 0.00 0.020 A ATOM 8 C UNL d 1 30.170 9.258 27.568 0.00 0.00 0.051 A ATOM 9 C UNL d 1 28.216 7.908 27.064 0.00 0.00 0.107 A ATOM 10 C UNL d 1 28.863 9.141 27.081 0.00 0.00 0.113 A ATOM 11 C UNL d 1 32.875 4.435 29.262 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 34.347 7.154 29.585 0.00 0.00 0.017 A ATOM 13 C UNL d 1 35.478 7.130 28.748 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 36.769 7.278 29.300 0.00 0.00 0.020 A ATOM 15 C UNL d 1 35.463 7.017 27.243 0.00 0.00 0.049 C ATOM 16 C UNL d 1 37.059 7.364 30.678 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 35.940 7.321 31.558 0.00 0.00 0.025 A ATOM 18 C UNL d 1 38.408 7.488 31.185 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 34.623 7.308 30.970 0.00 0.00 0.089 A ATOM 20 C UNL d 1 36.202 7.318 32.964 0.00 0.00 0.051 A ATOM 21 C UNL d 1 37.501 7.443 33.448 0.00 0.00 0.113 A ATOM 22 C UNL d 1 38.582 7.547 32.577 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 33.573 7.522 31.844 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 33.251 8.436 31.765 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 35.122 7.054 33.951 0.00 0.00 0.273 C ATOM 26 O UNL d 1 34.432 6.042 33.962 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 37.779 7.413 34.791 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 37.160 6.757 35.170 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 39.790 7.665 33.220 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 40.397 8.219 32.710 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 39.616 7.518 30.237 0.00 0.00 0.014 C ATOM 32 C UNL d 1 39.738 6.271 29.352 0.00 0.00 0.015 C ATOM 33 C UNL d 1 39.707 8.834 29.458 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 32.653 9.427 28.975 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 33.330 9.382 29.671 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 30.844 10.567 27.402 0.00 0.00 0.273 C ATOM 37 O UNL d 1 31.714 10.798 26.572 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 28.160 5.374 27.398 0.00 0.00 0.014 C ATOM 39 C UNL d 1 26.711 5.459 26.907 0.00 0.00 0.015 C ATOM 40 C UNL d 1 29.005 4.347 26.638 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 28.191 10.210 26.547 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 27.432 9.821 26.069 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 26.943 7.969 26.548 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 26.912 8.552 25.778 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11