REMARK VINA RESULT: -5.8 3.745 6.254 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 43.438 62.886 58.510 0.00 0.00 0.017 A ATOM 2 C UNL d 1 45.782 61.519 59.619 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 45.642 61.650 58.210 0.00 0.00 0.025 A ATOM 4 C UNL d 1 46.922 60.838 60.197 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 43.644 62.803 59.900 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 44.428 62.249 57.712 0.00 0.00 0.089 A ATOM 7 C UNL d 1 44.758 62.095 60.406 0.00 0.00 0.020 A ATOM 8 C UNL d 1 46.699 61.162 57.383 0.00 0.00 0.051 A ATOM 9 C UNL d 1 47.898 60.329 59.323 0.00 0.00 0.107 A ATOM 10 C UNL d 1 47.799 60.504 57.945 0.00 0.00 0.113 A ATOM 11 C UNL d 1 42.725 63.352 60.968 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 42.255 63.595 57.905 0.00 0.00 0.017 A ATOM 13 C UNL d 1 41.043 62.944 57.613 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 39.962 63.671 57.068 0.00 0.00 0.020 A ATOM 15 C UNL d 1 40.730 61.492 57.883 0.00 0.00 0.049 C ATOM 16 C UNL d 1 40.006 65.030 56.690 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 41.242 65.702 56.908 0.00 0.00 0.025 A ATOM 18 C UNL d 1 38.871 65.715 56.111 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 42.288 64.980 57.590 0.00 0.00 0.089 A ATOM 20 C UNL d 1 41.350 67.055 56.456 0.00 0.00 0.051 A ATOM 21 C UNL d 1 40.255 67.712 55.905 0.00 0.00 0.113 A ATOM 22 C UNL d 1 39.032 67.063 55.754 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 43.368 65.738 58.006 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 43.707 65.403 58.853 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 42.658 67.761 56.439 0.00 0.00 0.273 C ATOM 26 O UNL d 1 42.961 68.666 57.208 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 40.343 68.999 55.438 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 40.534 68.917 54.483 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 38.060 67.857 55.196 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 37.529 68.282 55.883 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 37.543 64.986 55.861 0.00 0.00 0.014 C ATOM 32 C UNL d 1 37.546 64.110 54.601 0.00 0.00 0.015 C ATOM 33 C UNL d 1 37.038 64.259 57.111 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 44.217 62.133 56.349 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 43.290 62.331 56.132 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 46.748 61.449 55.930 0.00 0.00 0.273 C ATOM 37 O UNL d 1 46.585 60.611 55.052 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 47.086 60.706 61.718 0.00 0.00 0.014 C ATOM 39 C UNL d 1 47.044 59.258 62.220 0.00 0.00 0.015 C ATOM 40 C UNL d 1 48.289 61.500 62.239 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 48.846 60.060 57.180 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 49.628 60.542 57.514 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 49.042 59.670 59.707 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 48.855 59.041 60.415 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11