REMARK VINA RESULT: 2.3 0.025 8.705 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 3.435 4.878 4.508 0.00 0.00 0.017 A ATOM 2 C UNL d 1 0.924 5.883 5.640 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 2.075 5.764 6.468 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -0.333 6.364 6.172 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 2.300 5.076 3.701 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 3.259 5.179 5.887 0.00 0.00 0.089 A ATOM 7 C UNL d 1 1.089 5.515 4.284 0.00 0.00 0.020 A ATOM 8 C UNL d 1 1.976 6.211 7.821 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -0.377 6.731 7.527 0.00 0.00 0.107 A ATOM 10 C UNL d 1 0.758 6.674 8.332 0.00 0.00 0.113 A ATOM 11 C UNL d 1 2.202 4.790 2.219 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 4.746 4.379 3.958 0.00 0.00 0.017 A ATOM 13 C UNL d 1 5.280 4.827 2.736 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 6.526 4.338 2.287 0.00 0.00 0.020 A ATOM 15 C UNL d 1 4.668 5.868 1.831 0.00 0.00 0.049 C ATOM 16 C UNL d 1 7.285 3.336 2.928 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 6.737 2.810 4.134 0.00 0.00 0.025 A ATOM 18 C UNL d 1 8.545 2.857 2.405 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 5.534 3.418 4.646 0.00 0.00 0.089 A ATOM 20 C UNL d 1 7.434 1.732 4.764 0.00 0.00 0.051 A ATOM 21 C UNL d 1 8.649 1.277 4.261 0.00 0.00 0.113 A ATOM 22 C UNL d 1 9.206 1.842 3.115 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 5.180 3.057 5.933 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 5.851 2.467 6.314 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 6.831 0.977 5.894 0.00 0.00 0.273 C ATOM 26 O UNL d 1 5.740 0.421 5.845 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 9.321 0.225 4.831 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 9.426 0.464 5.773 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 10.406 1.277 2.758 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 10.278 0.604 2.076 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 9.127 3.411 1.097 0.00 0.00 0.014 C ATOM 32 C UNL d 1 8.791 2.565 -0.137 0.00 0.00 0.015 C ATOM 33 C UNL d 1 8.826 4.903 0.917 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 4.266 4.852 6.779 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 4.785 5.640 7.007 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 3.170 6.334 8.690 0.00 0.00 0.273 C ATOM 37 O UNL d 1 3.398 5.619 9.658 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -1.575 6.508 5.280 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -1.261 6.997 3.861 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -2.457 5.256 5.315 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 0.643 7.146 9.614 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 1.552 7.132 9.973 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -1.484 7.217 8.183 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -2.184 6.552 8.216 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11