REMARK VINA RESULT: -8.9 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 0.413 -5.800 5.425 0.00 0.00 0.017 A ATOM 2 C UNL d 1 2.832 -6.439 3.897 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 2.393 -7.318 4.926 0.00 0.00 0.025 A ATOM 4 C UNL d 1 4.030 -6.721 3.134 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 0.834 -4.991 4.354 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 1.251 -6.914 5.709 0.00 0.00 0.089 A ATOM 7 C UNL d 1 2.030 -5.297 3.667 0.00 0.00 0.020 A ATOM 8 C UNL d 1 3.122 -8.529 5.129 0.00 0.00 0.051 A ATOM 9 C UNL d 1 4.734 -7.901 3.425 0.00 0.00 0.107 A ATOM 10 C UNL d 1 4.280 -8.797 4.389 0.00 0.00 0.113 A ATOM 11 C UNL d 1 0.154 -3.726 3.875 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -0.834 -5.512 6.220 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -1.713 -6.521 6.653 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -2.853 -6.188 7.417 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -1.537 -8.004 6.430 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -3.264 -4.875 7.731 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -2.432 -3.825 7.248 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -4.458 -4.594 8.498 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -1.202 -4.190 6.589 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -2.864 -2.480 7.473 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -4.011 -2.213 8.215 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -4.783 -3.249 8.735 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -0.310 -3.158 6.365 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 0.544 -3.354 6.785 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -2.183 -1.330 6.820 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -1.497 -0.509 7.416 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -4.460 -0.933 8.418 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -5.007 -0.723 7.636 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -5.876 -2.811 9.442 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -6.689 -2.957 8.939 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -5.364 -5.726 9.004 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -4.660 -7.085 9.101 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -6.119 -5.335 10.278 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 1.009 -7.662 6.848 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 0.951 -8.606 6.627 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 2.618 -9.603 6.017 0.00 0.00 0.273 C ATOM 37 O UNL d 1 1.566 -10.207 5.845 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 4.500 -5.783 2.013 0.00 0.00 0.014 C ATOM 39 C UNL d 1 3.360 -5.239 1.144 0.00 0.00 0.015 C ATOM 40 C UNL d 1 5.447 -4.696 2.531 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 4.978 -9.968 4.536 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 4.295 -10.663 4.615 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 5.878 -8.321 2.788 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 5.937 -7.942 1.902 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11