REMARK VINA RESULT: -1.4 2.588 9.041 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 -1.163 16.476 -15.939 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -3.599 15.955 -14.393 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -3.348 15.221 -15.586 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -4.799 15.729 -13.615 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -1.406 17.132 -14.719 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.183 15.578 -16.359 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -2.612 16.896 -14.020 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -4.274 14.196 -15.950 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -5.698 14.747 -14.062 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -5.434 13.982 -15.195 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -0.510 18.166 -14.071 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 0.085 16.707 -16.751 0.00 0.00 0.017 A ATOM 13 C UNL d 1 0.089 17.442 -17.951 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 1.298 17.643 -18.653 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -1.103 18.124 -18.575 0.00 0.00 0.049 C ATOM 16 C UNL d 1 2.544 17.082 -18.302 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 2.560 16.274 -17.129 0.00 0.00 0.025 A ATOM 18 C UNL d 1 3.746 17.303 -19.077 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 1.348 16.193 -16.352 0.00 0.00 0.089 A ATOM 20 C UNL d 1 3.786 15.619 -16.792 0.00 0.00 0.051 A ATOM 21 C UNL d 1 4.941 15.838 -17.537 0.00 0.00 0.113 A ATOM 22 C UNL d 1 4.927 16.680 -18.646 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 1.473 15.616 -15.102 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 2.323 15.864 -14.700 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 3.842 14.589 -15.721 0.00 0.00 0.273 C ATOM 26 O UNL d 1 4.525 14.686 -14.708 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 6.120 15.198 -17.250 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 5.932 14.246 -17.359 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 6.149 16.786 -19.264 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 6.300 16.036 -19.855 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 3.725 18.161 -20.351 0.00 0.00 0.014 C ATOM 32 C UNL d 1 5.051 18.156 -21.121 0.00 0.00 0.015 C ATOM 33 C UNL d 1 2.505 17.861 -21.228 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -2.109 15.023 -17.624 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -2.998 14.924 -18.003 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -3.986 13.238 -17.042 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -4.694 13.080 -18.030 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -5.068 16.508 -12.320 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -3.813 16.748 -11.472 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -5.889 17.776 -12.570 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -6.320 12.981 -15.498 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -7.138 13.210 -15.016 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -6.872 14.401 -13.436 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -7.226 15.146 -12.932 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11