REMARK VINA RESULT: -4.2 0.057 9.148 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 -1.622 15.758 -18.319 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -4.542 15.509 -18.400 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -3.791 14.725 -17.481 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -5.984 15.400 -18.473 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -2.399 16.571 -19.164 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.353 14.816 -17.544 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -3.801 16.394 -19.218 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -4.508 13.885 -16.575 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -6.622 14.510 -17.593 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -5.902 13.782 -16.649 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -1.873 17.616 -20.123 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -0.122 15.870 -18.239 0.00 0.00 0.017 A ATOM 13 C UNL d 1 0.737 15.329 -19.213 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 2.134 15.490 -19.092 0.00 0.00 0.020 A ATOM 15 C UNL d 1 0.309 14.608 -20.468 0.00 0.00 0.049 C ATOM 16 C UNL d 1 2.791 16.091 -17.998 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 1.953 16.589 -16.959 0.00 0.00 0.025 A ATOM 18 C UNL d 1 4.231 16.204 -17.918 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 0.526 16.538 -17.165 0.00 0.00 0.089 A ATOM 20 C UNL d 1 2.587 17.126 -15.795 0.00 0.00 0.051 A ATOM 21 C UNL d 1 3.972 17.237 -15.724 0.00 0.00 0.113 A ATOM 22 C UNL d 1 4.779 16.804 -16.773 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -0.237 17.253 -16.261 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 0.331 17.645 -15.577 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 1.806 17.463 -14.576 0.00 0.00 0.273 C ATOM 26 O UNL d 1 2.202 17.280 -13.432 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 4.603 17.722 -14.607 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 3.930 18.252 -14.137 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 6.120 16.989 -16.541 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 6.637 16.271 -16.931 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 5.136 15.653 -19.030 0.00 0.00 0.014 C ATOM 32 C UNL d 1 6.158 16.668 -19.556 0.00 0.00 0.015 C ATOM 33 C UNL d 1 5.753 14.301 -18.656 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -1.659 13.864 -16.817 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -0.770 14.189 -16.596 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -3.834 13.206 -15.444 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -3.714 11.992 -15.338 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -6.800 16.254 -19.453 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -7.493 15.440 -20.552 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -7.738 17.225 -18.728 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -6.619 13.014 -15.768 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -7.394 13.559 -15.528 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -7.978 14.297 -17.524 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -8.171 13.420 -17.168 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11