REMARK VINA RESULT: -4.6 1.729 9.144 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 -3.730 -5.145 -1.315 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -2.401 -7.007 -3.149 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -1.630 -6.054 -2.427 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -1.775 -7.931 -4.072 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -4.454 -6.146 -1.989 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.339 -5.102 -1.608 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -3.794 -6.998 -2.904 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -0.210 -6.091 -2.576 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -0.379 -7.873 -4.216 0.00 0.00 0.107 A ATOM 10 C UNL d 1 0.391 -6.985 -3.470 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -5.946 -6.380 -1.895 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -4.377 -4.183 -0.353 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -4.883 -2.932 -0.750 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -5.500 -2.086 0.197 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -4.893 -2.387 -2.158 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -5.587 -2.343 1.581 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -5.022 -3.572 2.028 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -6.210 -1.424 2.508 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -4.519 -4.483 1.028 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -5.014 -3.826 3.435 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -5.619 -2.942 4.323 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -6.224 -1.772 3.868 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -4.217 -5.756 1.474 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -4.631 -5.917 2.339 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -4.255 -4.968 4.010 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -4.754 -6.049 4.300 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -5.598 -3.150 5.679 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -6.489 -2.898 5.994 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -6.773 -1.016 4.874 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -7.549 -0.535 4.557 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -6.805 -0.091 2.030 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -5.894 1.118 2.278 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -7.331 -0.176 0.593 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -1.585 -4.047 -1.125 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -1.634 -3.289 -1.732 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 0.686 -5.294 -1.705 0.00 0.00 0.273 C ATOM 37 O UNL d 1 1.147 -4.199 -2.002 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -2.601 -8.970 -4.843 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -4.103 -8.913 -4.540 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -2.278 -8.966 -6.341 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 1.753 -7.068 -3.605 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 2.110 -6.863 -2.718 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 0.369 -8.684 -5.037 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 0.638 -9.488 -4.574 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11