REMARK VINA RESULT: -4.9 1.557 2.983 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 -3.505 -3.847 -0.249 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -5.129 -2.151 1.508 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -5.332 -2.110 0.100 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -5.906 -1.317 2.401 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -3.380 -3.917 1.151 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -4.447 -2.893 -0.726 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -4.142 -3.053 1.971 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -6.381 -1.281 -0.401 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -6.883 -0.481 1.836 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -7.130 -0.475 0.466 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -2.425 -4.807 1.914 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -2.700 -4.714 -1.181 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -1.300 -4.626 -1.287 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -0.601 -5.485 -2.162 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -0.408 -3.709 -0.486 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -1.201 -6.407 -3.046 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -2.623 -6.472 -3.014 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -0.432 -7.244 -3.941 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -3.310 -5.686 -2.018 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -3.269 -7.331 -3.958 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -2.526 -8.138 -4.813 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -1.133 -8.112 -4.792 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -4.653 -5.968 -1.852 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -4.873 -6.817 -2.270 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -4.743 -7.299 -4.148 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -5.495 -8.220 -3.851 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -3.123 -8.948 -5.746 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -4.084 -8.812 -5.630 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -0.559 -8.970 -5.697 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -0.800 -9.885 -5.502 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 1.101 -7.162 -3.987 0.00 0.00 0.014 C ATOM 32 C UNL d 1 1.703 -6.233 -2.925 0.00 0.00 0.015 C ATOM 33 C UNL d 1 1.753 -8.548 -4.030 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -4.510 -2.636 -2.085 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -4.874 -1.749 -2.245 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -6.811 -1.340 -1.817 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -6.452 -0.552 -2.684 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -5.701 -1.369 3.921 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -6.338 -2.593 4.589 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -4.236 -1.152 4.313 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -8.168 0.300 0.017 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -7.761 1.154 -0.228 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -7.711 0.361 2.540 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -8.236 -0.132 3.184 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11