REMARK VINA RESULT: -3.7 1.702 2.106 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 11.795 43.367 23.722 0.00 0.00 0.017 A ATOM 2 C UNL d 1 10.807 40.823 24.792 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 11.617 41.664 25.604 0.00 0.00 0.025 A ATOM 4 C UNL d 1 10.314 39.554 25.287 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 10.934 42.547 22.972 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 12.153 42.860 25.002 0.00 0.00 0.089 A ATOM 7 C UNL d 1 10.513 41.303 23.494 0.00 0.00 0.020 A ATOM 8 C UNL d 1 11.862 41.259 26.952 0.00 0.00 0.051 A ATOM 9 C UNL d 1 10.642 39.189 26.603 0.00 0.00 0.107 A ATOM 10 C UNL d 1 11.384 40.032 27.426 0.00 0.00 0.113 A ATOM 11 C UNL d 1 10.439 42.826 21.570 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 12.309 44.688 23.212 0.00 0.00 0.017 A ATOM 13 C UNL d 1 11.645 45.906 23.445 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 12.191 47.114 22.960 0.00 0.00 0.020 A ATOM 15 C UNL d 1 10.378 46.085 24.246 0.00 0.00 0.049 C ATOM 16 C UNL d 1 13.345 47.218 22.154 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 14.003 45.995 21.841 0.00 0.00 0.025 A ATOM 18 C UNL d 1 13.843 48.485 21.665 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 13.509 44.788 22.458 0.00 0.00 0.089 A ATOM 20 C UNL d 1 15.124 46.053 20.955 0.00 0.00 0.051 A ATOM 21 C UNL d 1 15.604 47.274 20.490 0.00 0.00 0.113 A ATOM 22 C UNL d 1 14.989 48.469 20.854 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 14.319 43.675 22.334 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 13.808 42.924 21.989 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 15.735 44.817 20.399 0.00 0.00 0.273 C ATOM 26 O UNL d 1 15.104 43.933 19.831 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 16.659 47.352 19.617 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 16.574 48.225 19.185 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 15.589 49.578 20.309 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 16.551 49.480 20.306 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 13.124 49.803 21.988 0.00 0.00 0.014 C ATOM 32 C UNL d 1 13.955 50.767 22.844 0.00 0.00 0.015 C ATOM 33 C UNL d 1 12.522 50.454 20.739 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 13.128 43.515 25.734 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 12.734 44.236 26.254 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 12.501 42.166 27.934 0.00 0.00 0.273 C ATOM 37 O UNL d 1 13.671 42.090 28.287 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 9.428 38.649 24.419 0.00 0.00 0.014 C ATOM 39 C UNL d 1 9.461 39.001 22.927 0.00 0.00 0.015 C ATOM 40 C UNL d 1 9.669 37.163 24.703 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 11.571 39.636 28.725 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 12.233 38.919 28.681 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 10.246 38.030 27.228 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 9.283 37.982 27.284 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11