REMARK VINA RESULT: -1.3 1.910 8.844 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 -1.645 16.000 -18.070 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -4.499 15.327 -18.059 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -3.982 16.233 -17.090 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -5.901 14.965 -18.071 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -2.201 15.165 -19.057 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.557 16.460 -17.081 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -3.570 14.819 -18.997 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -4.902 16.839 -16.182 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -6.741 15.553 -17.111 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -6.257 16.486 -16.196 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -1.448 14.506 -20.191 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -0.188 16.381 -18.055 0.00 0.00 0.017 A ATOM 13 C UNL d 1 0.447 17.014 -19.139 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 1.811 17.367 -19.053 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -0.214 17.433 -20.430 0.00 0.00 0.049 C ATOM 16 C UNL d 1 2.663 17.057 -17.972 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 2.068 16.353 -16.886 0.00 0.00 0.025 A ATOM 18 C UNL d 1 4.063 17.423 -17.951 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 0.645 16.123 -16.933 0.00 0.00 0.089 A ATOM 20 C UNL d 1 2.922 15.945 -15.813 0.00 0.00 0.051 A ATOM 21 C UNL d 1 4.266 16.304 -15.794 0.00 0.00 0.113 A ATOM 22 C UNL d 1 4.823 17.046 -16.833 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 0.071 15.671 -15.760 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -0.864 15.449 -15.906 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 2.440 15.023 -14.751 0.00 0.00 0.273 C ATOM 26 O UNL d 1 2.461 15.282 -13.553 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 5.110 15.900 -14.791 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 4.526 15.626 -14.056 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 6.158 17.315 -16.656 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 6.448 18.017 -17.253 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 4.709 18.167 -19.130 0.00 0.00 0.014 C ATOM 32 C UNL d 1 6.154 17.739 -19.414 0.00 0.00 0.015 C ATOM 33 C UNL d 1 3.813 18.167 -20.373 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -2.066 17.142 -15.981 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -2.770 17.669 -15.567 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -4.499 17.952 -15.291 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -4.368 17.856 -14.077 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -6.466 14.000 -19.122 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -7.159 12.771 -18.522 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -7.310 14.724 -20.176 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -7.169 17.079 -15.362 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -6.789 17.955 -15.152 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -8.092 15.328 -16.993 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -8.380 14.638 -17.604 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11