REMARK VINA RESULT: -5.9 0.169 9.269 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 -3.642 -5.197 -1.211 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -2.391 -7.052 -3.106 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -1.583 -6.138 -2.373 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -1.804 -7.971 -4.058 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -4.403 -6.161 -1.897 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.254 -5.185 -1.523 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -3.780 -7.009 -2.840 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -0.167 -6.210 -2.544 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -0.409 -7.949 -4.220 0.00 0.00 0.107 A ATOM 10 C UNL d 1 0.396 -7.100 -3.466 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -5.899 -6.356 -1.786 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -4.248 -4.240 -0.218 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -4.101 -4.389 1.173 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -4.673 -3.442 2.051 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -3.310 -5.470 1.869 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -5.489 -2.360 1.658 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -5.715 -2.220 0.259 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -6.070 -1.436 2.608 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -5.012 -3.114 -0.628 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -6.608 -1.188 -0.169 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -7.161 -0.298 0.747 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -6.882 -0.406 2.108 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -5.058 -2.787 -1.971 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -4.913 -1.833 -2.090 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -7.075 -1.105 -1.578 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -6.505 -0.470 -2.456 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -8.041 0.682 0.364 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -7.785 1.475 0.874 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -7.507 0.551 2.869 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -7.326 0.412 3.809 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -5.839 -1.596 4.118 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -6.476 -2.860 4.710 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -4.367 -1.415 4.499 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -1.464 -4.163 -1.027 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -0.625 -4.116 -1.515 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 0.762 -5.459 -1.668 0.00 0.00 0.273 C ATOM 37 O UNL d 1 1.535 -4.593 -2.059 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -2.670 -8.969 -4.840 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -4.166 -8.871 -4.521 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -2.361 -8.947 -6.341 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 1.753 -7.218 -3.622 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 2.085 -7.511 -2.751 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 0.304 -8.762 -5.070 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 0.063 -9.688 -4.943 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11