REMARK VINA RESULT: -4.2 1.926 3.359 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 -4.092 -0.923 4.539 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -1.772 -0.492 2.799 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -1.612 -1.185 4.031 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -0.643 -0.253 1.924 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -4.228 -0.305 3.282 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.764 -1.291 4.892 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -3.084 -0.067 2.486 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -0.321 -1.711 4.341 0.00 0.00 0.051 A ATOM 9 C UNL d 1 0.612 -0.746 2.318 0.00 0.00 0.107 A ATOM 10 C UNL d 1 0.768 -1.477 3.493 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -5.514 0.223 2.686 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -5.263 -1.175 5.451 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -5.401 -2.354 6.207 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -6.512 -2.520 7.063 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -4.416 -3.496 6.254 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -7.592 -1.618 7.176 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -7.517 -0.446 6.371 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -8.717 -1.855 8.053 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -6.312 -0.230 5.608 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -8.634 0.447 6.394 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -9.713 0.218 7.243 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -9.746 -0.900 8.072 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -6.173 1.026 5.047 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -5.263 1.155 4.732 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -8.744 1.573 5.429 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -9.805 2.057 5.055 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -10.808 1.044 7.261 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -10.755 1.527 8.110 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -10.879 -0.972 8.845 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -11.101 -0.104 9.209 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -8.806 -3.128 8.909 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -7.895 -3.107 10.144 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -10.255 -3.513 9.223 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -2.514 -1.745 6.176 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -2.165 -1.026 6.727 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -0.109 -2.631 5.484 0.00 0.00 0.273 C ATOM 37 O UNL d 1 0.491 -2.334 6.509 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -0.812 0.482 0.587 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -0.073 1.824 0.522 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -0.530 -0.429 -0.612 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 2.009 -2.002 3.747 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 2.493 -1.295 4.217 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 1.778 -0.616 1.601 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 2.357 0.045 2.002 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11