REMARK VINA RESULT: -2.0 1.768 3.057 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 31.219 76.647 104.461 0.00 0.00 0.017 A ATOM 2 C UNL d 1 33.401 75.274 105.855 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 32.423 74.516 105.154 0.00 0.00 0.025 A ATOM 4 C UNL d 1 34.484 74.624 106.564 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 32.242 77.369 105.102 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 31.320 75.232 104.562 0.00 0.00 0.089 A ATOM 7 C UNL d 1 33.254 76.680 105.808 0.00 0.00 0.020 A ATOM 8 C UNL d 1 32.586 73.098 105.100 0.00 0.00 0.051 A ATOM 9 C UNL d 1 34.552 73.222 106.520 0.00 0.00 0.107 A ATOM 10 C UNL d 1 33.634 72.473 105.788 0.00 0.00 0.113 A ATOM 11 C UNL d 1 32.348 78.876 105.187 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 30.092 77.319 103.720 0.00 0.00 0.017 A ATOM 13 C UNL d 1 29.016 77.945 104.375 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 28.002 78.579 103.623 0.00 0.00 0.020 A ATOM 15 C UNL d 1 28.841 78.074 105.869 0.00 0.00 0.049 C ATOM 16 C UNL d 1 27.911 78.573 102.215 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 28.950 77.887 101.522 0.00 0.00 0.025 A ATOM 18 C UNL d 1 26.833 79.219 101.500 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 30.046 77.364 102.301 0.00 0.00 0.089 A ATOM 20 C UNL d 1 28.843 77.785 100.100 0.00 0.00 0.051 A ATOM 21 C UNL d 1 27.807 78.412 99.415 0.00 0.00 0.113 A ATOM 22 C UNL d 1 26.831 79.134 100.099 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 31.145 76.936 101.580 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 31.570 77.689 101.136 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 29.753 76.906 99.318 0.00 0.00 0.273 C ATOM 26 O UNL d 1 30.578 77.315 98.510 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 27.668 78.304 98.054 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 26.718 78.131 97.903 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 25.885 79.689 99.272 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 26.092 79.507 98.345 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 25.704 79.945 102.247 0.00 0.00 0.014 C ATOM 32 C UNL d 1 25.664 79.643 103.750 0.00 0.00 0.015 C ATOM 33 C UNL d 1 25.664 81.441 101.921 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 30.270 74.451 104.110 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 29.468 74.989 104.007 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 31.752 72.251 104.216 0.00 0.00 0.273 C ATOM 37 O UNL d 1 30.780 71.606 104.590 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 35.550 75.438 107.311 0.00 0.00 0.014 C ATOM 39 C UNL d 1 36.417 76.308 106.394 0.00 0.00 0.015 C ATOM 40 C UNL d 1 34.963 76.201 108.503 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 33.837 71.119 105.722 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 34.177 70.870 106.604 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 35.518 72.454 107.126 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 35.170 72.024 107.918 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11