REMARK VINA RESULT: -4.2 1.850 9.383 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 18.024 -31.999 -3.923 0.00 0.00 0.017 A ATOM 2 C UNL d 1 15.304 -30.936 -4.180 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 15.515 -32.188 -3.538 0.00 0.00 0.025 A ATOM 4 C UNL d 1 13.971 -30.391 -4.334 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 17.786 -30.732 -4.488 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 16.860 -32.710 -3.518 0.00 0.00 0.089 A ATOM 7 C UNL d 1 16.461 -30.267 -4.643 0.00 0.00 0.020 A ATOM 8 C UNL d 1 14.383 -32.852 -2.975 0.00 0.00 0.051 A ATOM 9 C UNL d 1 12.895 -31.125 -3.809 0.00 0.00 0.107 A ATOM 10 C UNL d 1 13.097 -32.322 -3.127 0.00 0.00 0.113 A ATOM 11 C UNL d 1 18.837 -29.795 -5.040 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 19.408 -32.569 -3.759 0.00 0.00 0.017 A ATOM 13 C UNL d 1 20.010 -33.399 -4.723 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 21.322 -33.882 -4.521 0.00 0.00 0.020 A ATOM 15 C UNL d 1 19.404 -33.805 -6.044 0.00 0.00 0.049 C ATOM 16 C UNL d 1 22.092 -33.677 -3.356 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 21.484 -32.899 -2.331 0.00 0.00 0.025 A ATOM 18 C UNL d 1 23.423 -34.220 -3.196 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 20.201 -32.302 -2.611 0.00 0.00 0.089 A ATOM 20 C UNL d 1 22.200 -32.745 -1.102 0.00 0.00 0.051 A ATOM 21 C UNL d 1 23.482 -33.265 -0.954 0.00 0.00 0.113 A ATOM 22 C UNL d 1 24.092 -33.971 -1.988 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 19.767 -31.357 -1.701 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 19.126 -30.757 -2.118 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 21.558 -32.142 0.096 0.00 0.00 0.273 C ATOM 26 O UNL d 1 21.862 -31.051 0.563 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 24.176 -33.154 0.225 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 23.495 -33.046 0.918 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 25.355 -34.411 -1.675 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 25.881 -33.697 -1.291 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 24.073 -35.074 -4.296 0.00 0.00 0.014 C ATOM 32 C UNL d 1 25.446 -34.561 -4.746 0.00 0.00 0.015 C ATOM 33 C UNL d 1 24.058 -36.567 -3.952 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 16.986 -34.027 -3.113 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 16.228 -34.550 -3.421 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 14.532 -34.039 -2.101 0.00 0.00 0.273 C ATOM 37 O UNL d 1 14.172 -35.170 -2.402 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 13.738 -29.034 -5.014 0.00 0.00 0.014 C ATOM 39 C UNL d 1 13.354 -29.143 -6.494 0.00 0.00 0.015 C ATOM 40 C UNL d 1 12.798 -28.137 -4.203 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 11.997 -32.917 -2.565 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 11.787 -32.375 -1.779 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 11.574 -30.744 -3.859 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 11.384 -30.073 -3.192 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11