REMARK VINA RESULT: -4.3 5.352 8.345 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 -7.188 -1.734 3.547 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -5.255 -3.548 2.295 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -5.518 -3.649 3.690 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -4.296 -4.421 1.650 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -6.958 -1.709 2.159 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -6.408 -2.675 4.274 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -5.984 -2.562 1.591 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -4.871 -4.692 4.420 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -3.650 -5.387 2.440 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -3.944 -5.533 3.793 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -7.616 -0.777 1.166 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -8.185 -0.829 4.222 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -9.497 -1.234 4.527 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -10.377 -0.345 5.183 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -10.084 -2.601 4.273 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -10.087 0.999 5.500 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -8.789 1.462 5.141 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -11.041 1.871 6.151 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -7.860 0.502 4.597 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -8.491 2.842 5.367 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -9.409 3.677 5.998 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -10.653 3.196 6.401 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -6.547 0.925 4.501 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -5.978 0.193 4.210 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -7.253 3.464 4.827 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -7.127 4.662 4.601 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -9.157 5.010 6.199 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -9.872 5.483 5.729 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -11.434 4.149 7.008 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -10.911 4.677 7.627 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -12.447 1.376 6.523 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -12.806 0.016 5.912 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -12.707 1.459 8.030 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -6.443 -2.649 5.657 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -6.629 -1.750 5.975 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -5.247 -5.014 5.816 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -4.531 -4.819 6.790 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -4.018 -4.326 0.143 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -5.211 -4.730 -0.731 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -3.403 -2.978 -0.245 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -3.337 -6.566 4.460 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -2.932 -6.156 5.249 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -2.727 -6.298 1.983 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -2.573 -6.990 2.639 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11