REMARK VINA RESULT: -7.1 0.000 0.000 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 3.473 2.119 11.316 0.00 0.00 0.017 A ATOM 2 C UNL d 1 4.059 -0.743 11.074 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 3.059 -0.154 10.251 0.00 0.00 0.025 A ATOM 4 C UNL d 1 4.363 -2.156 10.987 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 4.505 1.521 12.063 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 2.745 1.236 10.472 0.00 0.00 0.089 A ATOM 7 C UNL d 1 4.732 0.129 11.961 0.00 0.00 0.020 A ATOM 8 C UNL d 1 2.421 -0.981 9.277 0.00 0.00 0.051 A ATOM 9 C UNL d 1 3.655 -2.925 10.048 0.00 0.00 0.107 A ATOM 10 C UNL d 1 2.716 -2.347 9.197 0.00 0.00 0.113 A ATOM 11 C UNL d 1 5.397 2.219 13.066 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 3.156 3.589 11.403 0.00 0.00 0.017 A ATOM 13 C UNL d 1 3.989 4.583 10.858 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 3.623 5.943 10.951 0.00 0.00 0.020 A ATOM 15 C UNL d 1 5.270 4.344 10.095 0.00 0.00 0.049 C ATOM 16 C UNL d 1 2.495 6.435 11.643 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 1.666 5.459 12.266 0.00 0.00 0.025 A ATOM 18 C UNL d 1 2.184 7.846 11.725 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 1.982 4.069 12.044 0.00 0.00 0.089 A ATOM 20 C UNL d 1 0.565 5.926 13.049 0.00 0.00 0.051 A ATOM 21 C UNL d 1 0.266 7.283 13.122 0.00 0.00 0.113 A ATOM 22 C UNL d 1 1.048 8.225 12.456 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 1.019 3.163 12.447 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 0.665 2.683 11.679 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -0.219 5.001 13.910 0.00 0.00 0.273 C ATOM 26 O UNL d 1 0.193 4.525 14.960 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -0.768 7.757 13.889 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -0.711 7.266 14.733 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 0.613 9.516 12.632 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 0.711 10.024 11.816 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 3.087 8.900 11.068 0.00 0.00 0.014 C ATOM 32 C UNL d 1 4.391 9.161 11.833 0.00 0.00 0.015 C ATOM 33 C UNL d 1 3.296 8.631 9.574 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 1.609 1.703 9.835 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 1.848 2.189 9.028 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 1.535 -0.413 8.234 0.00 0.00 0.273 C ATOM 37 O UNL d 1 0.322 -0.576 8.192 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 5.450 -2.794 11.862 0.00 0.00 0.014 C ATOM 39 C UNL d 1 5.430 -2.315 13.319 0.00 0.00 0.015 C ATOM 40 C UNL d 1 5.484 -4.319 11.720 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 2.148 -3.156 8.247 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 2.886 -3.685 7.887 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 3.829 -4.271 9.830 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 4.612 -4.433 9.288 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11