REMARK VINA RESULT: -5.2 4.266 6.088 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 -0.488 0.237 10.307 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -2.817 -1.544 10.281 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -2.946 -0.204 9.819 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -3.951 -2.443 10.293 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -0.378 -1.112 10.688 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -1.796 0.658 9.938 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -1.527 -1.934 10.712 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -4.209 0.203 9.290 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -5.180 -1.960 9.813 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -5.303 -0.670 9.304 0.00 0.00 0.113 A ATOM 11 C UNL d 1 0.882 -1.800 11.167 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 0.690 1.176 10.291 0.00 0.00 0.017 A ATOM 13 C UNL d 1 1.844 0.939 9.523 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 2.905 1.872 9.533 0.00 0.00 0.020 A ATOM 15 C UNL d 1 2.066 -0.231 8.596 0.00 0.00 0.049 C ATOM 16 C UNL d 1 2.962 3.028 10.340 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 1.838 3.261 11.183 0.00 0.00 0.025 A ATOM 18 C UNL d 1 4.090 3.934 10.326 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 0.708 2.373 11.057 0.00 0.00 0.089 A ATOM 20 C UNL d 1 1.900 4.374 12.078 0.00 0.00 0.051 A ATOM 21 C UNL d 1 2.984 5.247 12.059 0.00 0.00 0.113 A ATOM 22 C UNL d 1 4.050 5.043 11.185 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -0.448 2.777 11.698 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -0.621 3.717 11.519 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 0.880 4.568 13.143 0.00 0.00 0.273 C ATOM 26 O UNL d 1 0.054 5.473 13.148 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 3.079 6.304 12.927 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 2.254 6.815 12.805 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 5.033 5.996 11.295 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 5.902 5.613 11.115 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 5.309 3.674 9.430 0.00 0.00 0.014 C ATOM 32 C UNL d 1 5.504 2.197 9.064 0.00 0.00 0.015 C ATOM 33 C UNL d 1 5.350 4.615 8.222 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -2.029 2.004 9.716 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -1.857 2.516 10.524 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -4.378 1.496 8.587 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -4.725 2.539 9.129 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -3.814 -3.894 10.776 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -5.124 -4.688 10.726 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -2.636 -4.614 10.112 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -6.515 -0.319 8.768 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -6.395 -0.387 7.801 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -6.346 -2.685 9.744 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -6.772 -2.570 8.885 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11