REMARK VINA RESULT: -8.4 2.072 9.110 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 -0.478 -5.322 6.237 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -2.967 -5.054 7.762 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -2.273 -3.889 7.332 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -4.192 -4.954 8.528 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -1.226 -6.451 6.615 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -1.007 -4.073 6.665 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -2.397 -6.294 7.391 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -2.864 -2.618 7.606 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -4.687 -3.671 8.814 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -4.048 -2.526 8.347 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -0.865 -7.893 6.330 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 0.796 -5.420 5.439 0.00 0.00 0.017 A ATOM 13 C UNL d 1 1.747 -6.437 5.642 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 2.910 -6.488 4.844 0.00 0.00 0.020 A ATOM 15 C UNL d 1 1.631 -7.572 6.630 0.00 0.00 0.049 C ATOM 16 C UNL d 1 3.273 -5.528 3.875 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 2.365 -4.447 3.693 0.00 0.00 0.025 A ATOM 18 C UNL d 1 4.494 -5.621 3.104 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 1.119 -4.485 4.419 0.00 0.00 0.089 A ATOM 20 C UNL d 1 2.742 -3.410 2.783 0.00 0.00 0.051 A ATOM 21 C UNL d 1 3.915 -3.505 2.039 0.00 0.00 0.113 A ATOM 22 C UNL d 1 4.765 -4.599 2.181 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 0.166 -3.563 4.027 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 0.594 -2.739 3.740 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 1.970 -2.143 2.692 0.00 0.00 0.273 C ATOM 26 O UNL d 1 2.390 -1.053 3.062 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 4.311 -2.510 1.182 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 5.076 -2.876 0.696 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 5.873 -4.535 1.373 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 6.547 -5.164 1.665 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 5.481 -6.778 3.313 0.00 0.00 0.014 C ATOM 32 C UNL d 1 5.879 -6.995 4.778 0.00 0.00 0.015 C ATOM 33 C UNL d 1 5.028 -8.059 2.604 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -0.251 -2.928 6.487 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -0.608 -2.200 7.023 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -2.335 -1.368 7.010 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -1.563 -0.604 7.575 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -4.953 -6.208 8.982 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -4.361 -6.870 10.232 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -6.463 -5.964 9.076 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -4.657 -1.322 8.592 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -4.511 -0.793 7.783 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -5.839 -3.402 9.516 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -5.751 -3.675 10.438 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11