REMARK VINA RESULT: -3.0 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 31.434 75.799 104.392 0.00 0.00 0.017 A ATOM 2 C UNL d 1 33.528 74.409 105.901 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 33.682 75.787 105.583 0.00 0.00 0.025 A ATOM 4 C UNL d 1 34.551 73.692 106.634 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 31.281 74.457 104.785 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 32.668 76.402 104.762 0.00 0.00 0.089 A ATOM 7 C UNL d 1 32.328 73.799 105.469 0.00 0.00 0.020 A ATOM 8 C UNL d 1 34.838 76.464 106.080 0.00 0.00 0.051 A ATOM 9 C UNL d 1 35.690 74.404 107.042 0.00 0.00 0.107 A ATOM 10 C UNL d 1 35.824 75.767 106.788 0.00 0.00 0.113 A ATOM 11 C UNL d 1 30.091 73.573 104.481 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 30.373 76.550 103.631 0.00 0.00 0.017 A ATOM 13 C UNL d 1 29.110 76.847 104.176 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 28.167 77.576 103.419 0.00 0.00 0.020 A ATOM 15 C UNL d 1 28.646 76.508 105.572 0.00 0.00 0.049 C ATOM 16 C UNL d 1 28.339 77.980 102.078 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 29.581 77.633 101.473 0.00 0.00 0.025 A ATOM 18 C UNL d 1 27.323 78.704 101.345 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 30.582 77.011 102.304 0.00 0.00 0.089 A ATOM 20 C UNL d 1 29.755 77.950 100.089 0.00 0.00 0.051 A ATOM 21 C UNL d 1 28.779 78.650 99.388 0.00 0.00 0.113 A ATOM 22 C UNL d 1 27.593 79.039 100.009 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 31.848 76.924 101.755 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 31.801 76.993 100.787 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 30.919 77.435 99.320 0.00 0.00 0.273 C ATOM 26 O UNL d 1 30.882 76.449 98.594 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 28.911 78.939 98.054 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 28.250 78.380 97.600 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 26.742 79.722 99.175 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 26.678 80.650 99.437 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 25.978 79.063 101.992 0.00 0.00 0.014 C ATOM 32 C UNL d 1 25.664 78.254 103.257 0.00 0.00 0.015 C ATOM 33 C UNL d 1 25.809 80.575 102.173 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 32.975 77.659 104.270 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 32.178 78.086 103.913 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 34.976 77.937 105.992 0.00 0.00 0.273 C ATOM 37 O UNL d 1 35.779 78.515 105.270 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 34.383 72.208 106.992 0.00 0.00 0.014 C ATOM 39 C UNL d 1 35.392 71.288 106.296 0.00 0.00 0.015 C ATOM 40 C UNL d 1 34.295 71.987 108.506 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 36.924 76.398 107.309 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 37.157 75.885 108.108 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 36.743 73.879 107.754 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 37.186 74.565 108.269 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11